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annotate test-data/vec.dat @ 0:4f3222cb5cf6 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
author chemteam
date Fri, 11 Sep 2020 21:54:45 +0000
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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diff changeset
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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11 -2.935526e-02 1.624837e-01 -1.505991e-01 -1.086290e-01 1.338577e-01 -2.163402e-01 -8.080535e-02 9.451715e-03 1.127138e-01 1.283168e-01 -2.629997e-02 -8.093323e-02 -4.406554e-02 1.781595e-01 2.285314e-02 -2.069631e-01 -1.936812e-01 1.722600e-01 -6.134652e-02 1.196096e-01 -1.327885e-02 1.110725e-02 -2.296378e-02 -2.777305e-05 -2.046414e-01 9.965788e-02 -7.422077e-02 -1.904820e-01 -1.882968e-01 2.839692e-02 1.221894e-02 -6.058721e-02 2.191322e-01 -4.090058e-02 2.393380e-01 7.493546e-02 2.089873e-01 -1.261635e-01 1.905567e-01 -5.184531e-03 -6.452465e-03 1.036158e-01 -7.592298e-02 2.420656e-01 7.716594e-03 -4.920518e-02 4.508138e-02 -1.802039e-01 -1.872186e-02 3.406890e-02 -2.832554e-02 -5.793513e-02 1.241385e-01 1.643458e-01 2.158873e-02 -2.488078e-02 -6.936544e-02 7.326870e-02 4.412367e-02 6.293163e-02 1.330267e-02 -1.373185e-01 3.052857e-02 -1.629123e-01 -3.422399e-02 1.375747e-01 -6.359811e-02 -1.274823e-01 1.612231e-02 -6.621336e-02 1.339369e-01 -1.766603e-02 5.052881e-02 5.502334e-02 -2.956557e-02 -3.455945e-02 3.516405e-02 1.885944e-02 -4.842251e-02 4.484789e-02 -8.744231e-02 -2.441470e-02 -6.127846e-02 9.497351e-02 5.815390e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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12 -1.395073e-01 1.611783e-02 7.001774e-02 6.125458e-02 7.806590e-02 -7.083613e-02 2.921545e-02 -1.419568e-01 -4.348826e-02 4.977398e-02 -1.567427e-01 -1.683614e-01 7.125894e-02 -1.751522e-02 -1.219419e-01 6.878302e-02 -5.461749e-03 -6.230815e-02 -1.039534e-01 -1.142181e-01 -1.422585e-01 1.498494e-01 8.208245e-02 4.136230e-02 -5.982513e-02 4.876957e-02 -2.097909e-01 1.987259e-01 2.808915e-01 1.157210e-01 9.886656e-02 3.555252e-02 3.231619e-01 7.962707e-02 -5.504974e-02 -1.723704e-02 8.821711e-02 6.234950e-03 2.901783e-01 1.585263e-01 -6.548578e-02 1.313224e-01 2.803295e-02 6.823951e-02 6.910896e-02 -4.211891e-02 -1.022474e-01 1.401101e-01 1.941625e-01 -1.144434e-01 1.063599e-01 1.477388e-02 -1.107049e-01 -8.887174e-02 -2.174063e-02 2.492366e-01 -5.205688e-03 -4.970155e-02 -4.769937e-02 -3.343790e-02 -2.191439e-02 1.103624e-01 1.645483e-01 -1.096109e-01 5.437628e-02 5.505659e-03 6.064362e-03 1.652784e-01 1.600509e-02 4.009382e-02 7.056510e-02 -9.772958e-02 5.261562e-02 -1.270112e-01 -2.255223e-02 1.078755e-02 -4.256270e-02 1.154794e-01 -5.106794e-02 -2.427167e-02 2.531328e-02 -3.705838e-02 2.878046e-02 1.480194e-02 1.711643e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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13 -1.480333e-01 -1.256532e-02 3.408146e-02 3.613083e-02 8.022668e-03 -2.879797e-02 4.275629e-02 -5.297876e-02 -1.117907e-01 8.171245e-03 -1.075359e-01 -2.049505e-01 6.886591e-02 -2.283902e-02 2.147169e-02 1.729045e-01 -2.111860e-02 -2.574460e-02 -1.959692e-01 -7.763918e-03 2.539594e-02 2.039906e-02 -6.982616e-02 -1.005850e-02 -3.674208e-03 -1.292087e-02 -2.480528e-03 2.049535e-01 8.148260e-02 2.418772e-02 5.855270e-02 -1.140394e-01 8.129784e-02 5.661458e-02 -4.419253e-02 5.120311e-02 1.098061e-01 1.622075e-03 -3.650840e-02 -8.527235e-02 9.002324e-02 -7.321277e-02 -1.277613e-01 1.552517e-01 1.025419e-01 -7.376248e-02 -2.896244e-01 -1.067917e-01 -1.131616e-01 -1.433546e-01 -2.715611e-01 1.413943e-01 -9.269882e-04 7.091164e-02 -3.321035e-03 -2.941047e-01 -1.718972e-01 -3.764310e-03 1.275722e-01 -4.526322e-03 -1.046064e-01 -9.958904e-02 -1.475135e-01 2.174451e-01 2.056784e-01 1.148929e-02 -7.168803e-02 -8.533215e-02 -1.132707e-01 7.161444e-02 -3.041126e-02 2.343613e-01 2.649006e-03 9.010767e-02 1.059974e-01 6.130934e-02 1.436424e-02 -6.353515e-03 1.577553e-01 -6.643667e-02 1.457328e-02 6.455923e-02 -1.246031e-01 1.530608e-02 2.578314e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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14 -1.425902e-01 -3.906342e-02 -2.183491e-02 1.117581e-02 6.578204e-02 -5.563005e-02 3.599996e-02 -1.299867e-01 -1.632537e-01 -4.052375e-02 -3.213610e-02 -2.445166e-01 3.645857e-02 -6.110090e-02 1.390860e-01 3.791743e-02 2.315042e-02 8.370652e-02 -1.567651e-02 6.110086e-02 3.738019e-02 -1.657921e-02 -9.196798e-02 -2.951247e-02 -2.250898e-02 1.159094e-01 -1.177762e-01 -5.797902e-02 -2.189563e-02 -5.940433e-02 9.761373e-02 -2.295268e-02 -2.756053e-01 6.667031e-02 4.497527e-02 -1.062033e-01 -7.192963e-02 -5.108299e-02 3.818611e-02 4.487991e-02 2.123142e-01 -9.901788e-02 1.089106e-02 1.723438e-01 1.899523e-01 2.485330e-01 5.599586e-02 1.468666e-01 -9.959237e-02 1.268545e-01 8.390746e-02 -1.831529e-01 -1.885983e-01 1.147366e-01 -1.766568e-01 -1.157313e-01 1.931284e-02 -4.723888e-02 4.479369e-03 -6.110795e-03 3.240275e-01 -7.047205e-02 -5.947423e-02 -5.946988e-02 8.444171e-03 -4.126341e-02 7.940956e-03 1.514576e-01 -1.042223e-01 -2.067803e-02 1.077089e-01 -2.332493e-01 -1.281892e-01 -2.161995e-02 5.434644e-02 -5.120435e-02 6.774851e-02 1.020689e-01 -2.187530e-02 -8.282979e-02 -5.935244e-02 1.433803e-01 8.316052e-03 1.251744e-02 -7.846121e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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15 -1.284376e-01 -4.969365e-02 -2.411815e-02 -1.521446e-02 9.167778e-02 -5.160655e-02 5.502041e-03 -4.179131e-02 -2.023270e-01 -1.820870e-01 1.077117e-02 -4.132814e-01 1.057959e-01 -1.304246e-01 2.202138e-01 1.969449e-02 8.356246e-02 8.078069e-02 -2.039985e-02 4.456014e-02 1.175602e-01 4.636972e-02 -1.309019e-01 2.717609e-02 2.275644e-02 6.039278e-02 -2.436485e-02 -1.135495e-01 -1.704859e-01 -6.646906e-02 -4.492367e-02 2.442098e-01 9.339101e-02 9.991985e-02 1.380954e-01 -1.865140e-01 2.440538e-02 1.471701e-02 -5.699884e-02 -4.437439e-02 -3.934466e-02 -6.630107e-03 1.602541e-01 -1.748346e-01 -1.158037e-01 -1.124200e-01 1.272698e-01 -1.634824e-03 1.613112e-02 -1.172973e-02 1.642561e-01 -4.594913e-02 2.298214e-02 -4.472090e-02 -1.519690e-01 2.635157e-02 1.809221e-02 8.173615e-02 4.127532e-02 -2.131502e-02 -2.741355e-01 1.219561e-01 -2.193418e-02 2.544770e-02 -1.715870e-02 1.133611e-02 1.984131e-02 -1.444942e-01 -2.128582e-02 3.550994e-02 -2.595059e-02 1.106819e-01 9.958647e-02 -6.939140e-02 7.780972e-02 6.328054e-02 -1.251117e-01 -9.042486e-02 -6.437923e-02 4.831155e-02 6.338449e-02 -2.031488e-01 -8.887824e-02 5.718583e-02 6.112756e-03
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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16 -1.436954e-01 -5.094549e-02 1.022521e-02 1.643632e-02 6.495262e-02 -2.641172e-02 4.437969e-02 -8.415967e-02 -1.265689e-01 -3.426977e-02 -6.921241e-02 -2.686972e-01 8.419349e-02 -4.939641e-02 1.148062e-01 5.123716e-02 -1.878127e-02 1.769234e-02 -5.810058e-03 -5.594628e-03 6.835277e-02 3.918181e-02 -1.095247e-01 6.248318e-02 9.190982e-03 1.008838e-01 1.122247e-01 -8.109193e-02 3.146578e-02 2.284415e-02 -1.229344e-01 2.639205e-02 -5.598107e-02 -1.039464e-01 -6.980141e-02 1.116877e-01 2.405478e-02 -2.041727e-03 -6.120319e-02 -7.490369e-02 -9.024843e-02 1.009771e-01 -1.205947e-04 -5.194635e-02 -1.018357e-01 -3.407107e-02 6.031993e-02 -7.997433e-02 4.528582e-02 -3.537911e-02 -5.942273e-02 2.668924e-01 1.707879e-01 6.142793e-02 1.202548e-01 1.349281e-01 -1.829363e-02 -1.996989e-02 -1.683644e-01 1.870810e-02 3.537648e-02 -7.743283e-02 1.103338e-01 7.929716e-02 -1.768257e-01 1.515039e-02 4.613847e-02 1.596433e-01 1.723438e-01 -2.478186e-02 -8.853475e-02 2.645203e-02 -9.650581e-02 1.569858e-01 -3.680931e-01 -2.245664e-01 1.449506e-01 8.863082e-02 1.157247e-01 -1.094667e-01 -2.229354e-01 1.976549e-01 1.241841e-01 -1.152467e-01 3.320680e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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17 -1.398232e-01 -6.958103e-02 2.466521e-02 2.572764e-02 6.838273e-02 -5.610089e-02 7.424261e-02 -8.252979e-02 -1.130416e-01 8.299044e-02 -9.581724e-02 -1.670154e-01 1.431459e-02 9.265704e-03 -2.065603e-02 8.444903e-02 -3.691984e-02 4.205252e-02 7.401289e-02 3.513735e-02 -2.100357e-02 -9.761820e-02 -5.168690e-02 2.956585e-02 1.174414e-03 1.507923e-02 1.181717e-01 -9.695247e-02 -1.643593e-02 6.128090e-02 -5.461237e-02 -4.478236e-02 -2.051407e-01 -2.562216e-01 -1.334292e-01 1.618467e-01 4.571602e-02 1.139852e-01 7.288100e-02 -1.638395e-02 -1.213099e-01 1.582645e-01 -1.864429e-01 -9.770699e-02 -3.895997e-02 1.432832e-01 -1.265056e-01 -5.398597e-02 -1.760729e-02 1.454145e-01 -1.631852e-01 7.382399e-02 1.551664e-02 -3.779051e-02 1.822705e-01 1.871238e-01 -2.545076e-02 1.112583e-01 -1.381025e-01 7.220142e-02 1.845234e-02 -8.593906e-02 -3.513641e-02 -1.769055e-01 8.711772e-03 -1.275784e-01 -6.085284e-02 -7.183325e-02 -5.359010e-02 1.411927e-02 -3.329989e-02 -1.264532e-01 -3.454155e-02 -6.677499e-02 3.416920e-01 2.713973e-01 -4.896639e-02 -6.652632e-02 -1.039772e-01 1.752174e-01 1.361184e-01 -1.235490e-01 9.929309e-02 2.700571e-02 -3.210215e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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18 -6.145431e-02 -1.730050e-01 -3.535975e-02 -8.843519e-02 1.636574e-01 2.175480e-02 3.296385e-02 8.146253e-02 -5.204436e-02 1.121231e-02 1.180130e-01 7.280243e-03 2.944433e-02 3.969135e-02 2.363878e-02 -1.942592e-02 7.172905e-02 -5.719754e-02 5.553051e-02 3.328569e-01 1.927783e-02 -2.213940e-01 -4.028399e-02 2.324765e-01 6.820277e-02 -2.429937e-01 1.463141e-01 -3.306590e-02 1.728080e-02 2.340576e-01 -3.675820e-01 1.369363e-01 6.264264e-03 -3.017902e-02 -1.565684e-01 1.516178e-02 -5.218959e-02 -8.100409e-02 1.945177e-01 1.351913e-01 7.919578e-02 8.392474e-02 4.944239e-02 5.829004e-02 4.266055e-02 -1.902453e-01 -1.526830e-02 -4.423128e-02 5.132843e-02 -6.486529e-02 4.403696e-02 -3.206969e-03 -2.437599e-01 2.113477e-02 7.707051e-02 -2.383360e-02 -9.351884e-03 -4.091518e-02 2.213352e-01 -7.207399e-02 1.138203e-01 3.080206e-02 3.588822e-02 -6.435222e-02 9.976107e-02 4.254904e-02 6.286851e-02 3.831934e-02 -1.351592e-01 -2.905586e-02 5.518331e-02 9.141374e-02 8.586897e-02 -4.314114e-03 -1.825631e-02 -1.513838e-02 8.528138e-02 -1.984190e-02 -3.065537e-03 -1.007369e-02 -1.004049e-01 2.440276e-02 -3.445195e-02 1.176592e-02 -5.677339e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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19 -9.291894e-02 -1.316757e-01 8.156948e-02 2.133308e-02 9.029550e-02 -7.400971e-02 -2.094801e-02 -6.636016e-02 2.576950e-02 3.303889e-01 8.460848e-02 -3.114525e-03 -4.403577e-02 2.003376e-02 -2.077881e-01 2.048427e-01 6.568943e-02 1.288889e-01 -5.910382e-02 2.229528e-02 -3.857784e-02 -3.804613e-01 -3.266257e-02 1.565636e-02 -8.766058e-02 -2.791628e-02 1.902798e-01 -1.366790e-01 -5.606240e-02 -1.689988e-01 1.714945e-01 -3.097177e-02 1.277874e-01 2.230305e-01 2.125171e-01 -1.682928e-01 -2.499926e-01 -1.649378e-01 -2.957618e-02 5.788396e-03 -1.703143e-01 1.033801e-01 -1.410992e-01 -1.824656e-01 2.330346e-02 2.988008e-02 1.046669e-02 3.832931e-02 3.905226e-02 -2.804478e-03 -1.090688e-01 6.089750e-02 -1.119752e-01 1.482937e-02 -1.297839e-02 1.771517e-02 3.614970e-02 -2.131147e-02 -1.373136e-01 -9.772314e-02 -2.395329e-02 2.000524e-02 -9.162603e-02 2.243852e-02 8.802967e-02 1.097808e-01 1.151065e-02 2.658085e-02 3.289995e-02 5.894693e-02 -2.930213e-02 -1.121497e-02 -1.956585e-02 -5.916514e-02 -5.936087e-02 -7.747026e-02 -7.171602e-03 5.303509e-02 5.822199e-02 -3.413079e-02 1.043168e-02 1.310575e-02 -3.856201e-02 2.847704e-02 1.734374e-03
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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20 2.989885e-02 -1.595396e-01 1.340894e-01 9.369587e-02 5.239058e-02 -4.574053e-02 1.834771e-01 2.893296e-01 6.172328e-02 1.550449e-01 1.633870e-01 -1.077125e-01 -1.044566e-01 -1.315543e-01 2.127923e-01 -8.400030e-03 1.921772e-01 -2.555784e-02 -1.394250e-01 -7.444424e-02 -3.718779e-01 1.908957e-03 5.044473e-02 1.947212e-02 1.261460e-01 -5.685497e-02 -3.647383e-02 -2.484065e-02 -6.987708e-02 -5.096279e-02 -2.437684e-02 -9.567379e-02 1.332276e-01 -2.453381e-01 -8.856711e-03 1.657639e-03 -6.154000e-02 4.583558e-02 -4.030144e-02 3.346405e-02 7.231529e-02 -4.915574e-03 1.287479e-01 1.653844e-01 -7.365928e-02 2.746388e-02 -1.285643e-01 -1.861431e-02 1.213510e-01 1.753819e-01 -7.947443e-02 1.420491e-01 5.166395e-02 5.248890e-03 -3.174490e-01 2.837524e-02 5.790331e-03 2.141082e-02 5.134983e-02 -4.789497e-02 3.700254e-02 -6.657404e-02 -5.873839e-02 1.200670e-02 -7.740165e-02 1.519144e-01 -7.152801e-02 -2.411603e-02 7.116809e-02 7.875731e-03 1.122235e-01 -5.723228e-02 -8.235432e-02 -3.061558e-02 -6.698592e-02 -1.947127e-02 -2.690707e-02 -7.953627e-02 9.332311e-03 1.002533e-01 4.072195e-02 -4.717223e-02 5.702000e-02 -1.496183e-02 -2.654807e-05
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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22 1.203399e-01 -6.607465e-02 9.155517e-02 9.592281e-02 -1.555064e-01 -1.957073e-01 1.742826e-02 -3.287206e-02 2.198609e-01 -1.281852e-01 -9.709164e-03 4.213639e-02 1.367346e-02 -1.173101e-01 -8.169095e-03 -1.202853e-02 -3.810365e-06 2.661403e-02 2.095913e-01 7.798666e-02 -8.490337e-03 -1.378841e-01 -1.681018e-01 -7.570299e-02 -6.370959e-02 -9.421275e-03 -2.546555e-01 -4.892439e-02 -4.139879e-02 8.938521e-02 -1.508451e-02 1.464269e-01 -1.083743e-01 7.581196e-02 3.334010e-02 -2.652587e-01 -4.785839e-02 1.946330e-01 8.953130e-02 -2.751921e-01 -1.021926e-01 -2.531533e-02 1.504059e-01 -1.918248e-02 1.211145e-01 -2.997620e-02 -2.563572e-01 -2.196958e-01 1.985413e-01 -1.449544e-01 -6.077268e-02 8.870173e-02 -8.862042e-02 -5.785389e-02 1.884503e-02 5.146877e-02 -1.118286e-01 -7.451880e-02 -7.926345e-02 8.144544e-02 5.389793e-02 -1.931224e-01 -2.701117e-02 3.179855e-03 -1.582664e-01 1.193022e-02 -1.122274e-01 4.186699e-02 -2.996020e-02 5.678180e-02 8.085358e-02 -1.120908e-03 3.851289e-02 -2.205349e-02 -7.820708e-03 4.328491e-02 6.762571e-02 8.503421e-02 -1.391542e-02 1.691437e-03 -4.640304e-02 3.142222e-03 -5.605947e-02 7.806991e-02 -1.476235e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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23 3.092714e-03 -7.338147e-02 2.101877e-01 1.086862e-01 -1.124140e-01 -3.972977e-01 9.202670e-02 2.098997e-01 1.617757e-01 -3.433062e-01 1.048635e-01 7.202330e-02 8.382315e-02 7.889616e-02 -2.463363e-01 2.149120e-02 -4.854311e-02 1.660671e-01 -3.066142e-01 -1.433764e-01 3.120108e-01 9.459649e-02 -8.855571e-02 1.775773e-01 -2.152498e-02 7.079086e-02 2.067972e-01 -5.897525e-03 3.287643e-02 1.748022e-03 -6.630944e-02 6.650430e-02 2.948188e-02 -3.544541e-02 -6.161305e-02 -1.039386e-02 2.195169e-02 -1.847599e-01 2.249520e-02 2.876566e-02 1.227655e-01 4.319048e-02 2.866865e-02 -2.367173e-02 -3.486767e-02 6.696753e-02 -3.156559e-02 9.339213e-02 6.887828e-03 1.032140e-01 -6.514657e-02 -2.613335e-02 -7.705083e-03 -3.629328e-02 -1.006080e-01 2.913178e-02 3.377374e-02 1.027248e-02 -2.598411e-02 4.016404e-03 3.745680e-03 -5.962966e-02 -1.383297e-02 -4.600522e-02 9.715551e-03 -1.777383e-02 6.466798e-03 4.628127e-02 1.837437e-03 5.317510e-02 9.818821e-03 -1.936304e-02 3.844732e-02 1.626288e-02 7.076289e-02 1.990236e-02 1.516728e-02 -1.330613e-02 -6.485307e-03 -1.043580e-03 -6.898419e-02 -8.910080e-03 3.146299e-02 -3.959746e-02 1.553061e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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24 1.339694e-01 6.167652e-02 7.647338e-02 -5.110859e-02 -7.363453e-02 -2.097840e-02 1.115232e-01 -6.550530e-02 -2.000034e-02 2.767174e-02 -2.836424e-02 1.061740e-01 2.264051e-01 5.397959e-03 -5.528394e-02 -2.660331e-02 -4.173614e-02 1.627601e-01 1.640621e-02 1.347368e-01 -3.400640e-02 -1.744200e-01 -3.373111e-01 -1.375514e-01 1.836440e-01 1.011771e-01 -2.922938e-01 1.263928e-01 1.533717e-01 -1.194524e-02 -3.801425e-02 -4.223021e-02 -3.496572e-02 -1.603143e-01 -1.822671e-02 -4.243166e-02 -1.942946e-02 -5.372053e-02 6.312643e-02 1.073928e-01 6.454983e-02 3.074236e-02 -7.539930e-02 9.930811e-03 -1.266975e-01 1.808580e-02 8.821498e-02 -1.634326e-03 -6.257714e-02 7.787170e-02 -7.949940e-02 9.340929e-02 3.159701e-02 2.222914e-01 -1.252822e-02 1.192951e-02 2.595252e-02 9.905394e-02 -4.098514e-02 -8.695044e-02 5.646865e-02 1.945051e-01 1.822272e-02 9.287702e-02 -3.766557e-02 1.072632e-01 3.610178e-01 -9.044269e-02 1.320826e-01 1.626327e-01 7.510256e-02 6.625010e-02 8.175665e-02 -8.113371e-02 -1.196437e-02 9.511272e-02 -1.591892e-01 -5.057711e-02 2.150842e-02 -3.035594e-03 -5.826655e-02 3.144047e-02 -3.676399e-02 5.854417e-02 4.484281e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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25 9.646539e-02 1.237113e-01 1.699132e-01 -7.873893e-02 -2.519975e-02 3.396837e-02 1.130701e-01 -7.731305e-02 -7.596431e-02 -1.534822e-01 -8.452436e-03 1.305401e-01 2.538739e-01 2.468304e-02 -1.610792e-02 -1.554299e-02 -4.750011e-02 9.525636e-02 -5.832402e-02 1.678982e-01 -1.596749e-01 -1.471762e-01 -1.146851e-01 -5.706066e-02 2.361218e-01 3.514481e-02 -1.269067e-01 -8.269380e-02 1.630979e-02 -1.729518e-01 6.610880e-03 -1.675597e-02 7.026531e-02 -6.763807e-02 8.621980e-02 -1.230998e-02 2.891984e-02 -5.806327e-02 7.890167e-02 8.989619e-02 -2.647158e-02 2.187038e-02 -2.803548e-02 1.777021e-02 -1.729896e-02 -1.043912e-01 8.931750e-02 3.034071e-02 -1.156972e-01 -3.306679e-02 1.032188e-02 1.092158e-01 2.242092e-02 -1.761538e-01 -5.949672e-02 -2.439330e-02 -1.017517e-01 -4.613329e-02 3.066051e-02 -1.252880e-02 -1.395132e-01 -6.571003e-02 -9.932784e-02 -1.888695e-01 9.903327e-02 -7.490259e-02 -2.814923e-01 2.013252e-01 -1.696522e-01 -2.399504e-01 -1.853866e-01 -1.408317e-03 -1.451067e-01 1.588999e-01 -2.996465e-02 -1.009960e-01 9.790241e-02 7.265451e-02 -6.057809e-02 4.811608e-03 1.538079e-01 -1.003837e-01 9.422226e-02 -1.140974e-01 -1.648341e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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26 -5.599223e-02 1.475515e-01 1.840388e-01 -6.871198e-02 2.980352e-02 7.547807e-02 3.746841e-02 3.595832e-02 -1.171789e-01 -3.526148e-01 4.315842e-02 9.630905e-02 1.424970e-01 -3.865415e-02 1.414327e-01 -4.927658e-02 -1.416377e-01 -5.341440e-02 -1.576830e-01 9.960306e-02 -1.754981e-01 1.506774e-04 3.647857e-01 -9.488690e-02 7.507181e-02 2.689807e-02 1.968379e-01 -1.035221e-01 -5.914023e-02 -1.468777e-01 8.836502e-02 1.728428e-01 2.181443e-02 2.883179e-02 3.723997e-02 -5.634957e-03 1.736047e-02 2.528329e-02 2.890748e-02 1.871261e-02 -2.780701e-01 3.852092e-02 7.922694e-02 3.786564e-03 4.912021e-02 5.494896e-02 -7.325425e-02 -6.443633e-02 9.870089e-02 -1.114739e-02 -8.751984e-02 1.938222e-02 -9.434821e-02 6.211060e-02 1.126215e-01 -1.274791e-01 -1.640014e-01 2.746068e-02 -9.354785e-02 -2.964056e-02 1.996092e-01 9.552963e-02 7.759860e-02 -3.232225e-02 5.916983e-02 1.242143e-01 1.497412e-01 -6.526614e-02 1.221978e-01 3.505100e-02 4.561984e-02 -4.572407e-02 -5.107249e-02 -5.900007e-02 7.942545e-02 8.846237e-02 -1.472974e-02 2.582322e-02 8.500210e-02 3.225856e-03 -5.885285e-02 1.124406e-01 -6.889438e-02 1.058525e-01 -2.188391e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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27 4.520676e-02 1.741750e-01 1.839045e-01 -1.018540e-01 -2.855695e-02 9.431214e-02 1.489606e-02 -3.911594e-02 -8.828361e-02 -1.416895e-01 2.532525e-02 2.277210e-02 1.665757e-01 -4.790134e-02 7.641687e-02 6.338389e-02 7.437858e-03 -2.365729e-03 -7.717091e-02 2.157325e-02 -2.174725e-02 -1.252500e-01 1.690361e-01 6.961962e-02 -7.365490e-02 8.479645e-02 2.761083e-02 7.337440e-02 -2.949366e-02 1.930015e-01 -6.476607e-02 -1.925460e-01 -7.012640e-02 -4.808133e-02 8.301248e-02 1.555183e-02 7.365495e-02 -1.353692e-02 -5.654974e-02 -6.959797e-02 -3.734595e-02 4.998028e-02 -9.596139e-02 7.332588e-03 1.367814e-01 1.463316e-01 -1.260701e-02 -5.175531e-02 1.841363e-02 -4.672921e-02 9.427269e-02 -9.192820e-02 -1.565975e-01 2.305660e-01 2.195463e-02 3.175693e-01 3.226200e-01 -1.839464e-01 7.185870e-02 4.639420e-02 -1.132079e-01 -1.457037e-01 -2.732071e-01 1.434902e-01 -2.483265e-02 9.840252e-02 -1.234279e-01 -4.006635e-02 1.892546e-02 4.585481e-02 4.854208e-02 1.854355e-02 1.592029e-01 -6.201121e-02 -8.619550e-02 -1.538238e-01 -3.759329e-02 -1.080938e-01 3.137530e-02 4.647616e-02 1.260713e-02 -1.170331e-01 2.789079e-02 -2.338786e-02 8.543247e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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28 6.015988e-02 1.689490e-01 1.480743e-01 -7.582154e-02 -1.974436e-02 1.489246e-01 -6.616317e-02 -9.581416e-02 1.851876e-02 1.745768e-03 -4.502449e-02 -1.225788e-02 5.876157e-02 -5.781033e-02 8.109564e-02 4.548675e-02 1.520745e-01 7.390753e-02 -6.333384e-02 -1.602089e-01 -7.103056e-02 -2.194966e-01 2.339767e-02 2.105943e-01 -2.307178e-01 -5.425359e-02 -6.811785e-02 8.638746e-02 -4.392634e-02 9.157600e-02 -2.516021e-01 -1.620699e-01 -1.891797e-03 -5.587801e-02 3.909013e-04 -6.464809e-02 1.375443e-01 -1.637036e-01 -3.449367e-02 3.097967e-02 4.298746e-03 -1.845543e-01 -6.310078e-02 -1.616612e-01 -7.357114e-02 7.512642e-03 2.178525e-03 6.267230e-02 4.841388e-02 -6.351982e-03 -1.298430e-01 -2.117713e-01 -9.502498e-02 -8.132128e-02 -1.978086e-01 -7.243591e-02 -1.909434e-01 -4.544614e-03 -1.367070e-01 1.228310e-01 -8.510725e-02 2.330009e-02 2.119455e-01 -1.556776e-01 -1.033108e-01 -1.119917e-01 -2.127206e-03 -1.538149e-01 1.066740e-01 5.413852e-02 2.165725e-02 7.034128e-02 -1.467521e-01 8.918316e-02 -5.188569e-02 1.132000e-01 1.099928e-01 8.854134e-02 -2.034303e-02 1.844298e-02 -6.479014e-02 7.613086e-02 -1.667112e-02 8.890346e-02 -1.047587e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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29 -5.986562e-02 1.676369e-01 1.627684e-01 -5.947241e-02 1.310504e-02 5.200436e-02 -1.165350e-01 -1.567291e-01 7.786347e-02 -1.113307e-01 -4.845462e-02 9.229745e-03 -1.783603e-02 -4.401457e-02 2.325170e-02 1.076711e-01 1.242628e-01 2.692583e-02 -1.266030e-01 2.695743e-02 -4.254793e-02 -1.352485e-01 -3.285832e-02 1.841444e-01 -1.504545e-01 -1.815943e-01 -8.690541e-02 2.560819e-02 -9.549868e-02 -7.747062e-02 5.627230e-02 -1.077387e-02 -1.119054e-01 1.606302e-01 -1.312948e-01 2.182439e-02 -2.046088e-01 9.016049e-03 -7.944623e-02 6.290191e-02 1.374375e-01 4.236081e-02 7.250694e-02 3.762189e-01 3.817630e-02 -1.040861e-01 6.715090e-02 3.070441e-02 1.946420e-01 1.549437e-01 1.118937e-01 1.055438e-01 2.348381e-01 -1.168523e-01 2.148322e-01 -6.418203e-02 1.338624e-01 2.344075e-01 -5.196036e-02 7.973245e-02 -7.101243e-02 -1.079017e-01 -9.771589e-03 1.921901e-02 1.897044e-02 5.069678e-02 5.259112e-02 8.156965e-02 4.320400e-02 -2.993414e-02 -8.549289e-02 -6.588393e-02 1.044218e-01 3.604144e-02 -1.895086e-02 1.408824e-01 -1.141520e-01 2.331118e-02 5.424495e-03 1.217048e-01 -4.170737e-02 -8.819121e-03 -5.554252e-02 9.714491e-03 4.450423e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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30 3.574340e-02 1.909705e-01 1.442133e-01 -6.261665e-02 -9.721793e-03 2.986636e-02 -8.072373e-02 -1.945878e-02 8.898807e-02 -4.063860e-02 -4.183269e-02 5.753155e-03 2.553845e-02 -1.096948e-02 6.545146e-02 3.440159e-02 8.828785e-02 6.043814e-02 7.141558e-02 -2.222746e-01 -1.921589e-02 -6.725844e-02 -1.131357e-01 2.005709e-01 -6.227448e-02 4.451069e-02 5.109929e-02 -3.160558e-02 -1.100658e-01 -1.042294e-01 2.862346e-02 -6.481645e-02 4.739896e-02 3.952315e-02 -1.200002e-01 2.276348e-01 -9.425225e-02 9.653889e-02 2.095549e-01 -3.236058e-01 -1.180118e-01 1.828557e-01 1.281940e-03 3.391922e-03 -2.191646e-01 -1.328897e-01 -4.315929e-02 -2.730719e-02 -1.534975e-01 9.510115e-02 1.519073e-01 -4.182685e-02 1.431227e-02 9.046255e-02 -2.792860e-02 -2.579015e-02 -1.302372e-01 -5.222255e-02 1.850026e-01 -1.767958e-01 1.447557e-01 1.242606e-01 6.687020e-02 1.773079e-01 -1.002278e-02 1.632702e-04 -3.182518e-02 5.072336e-02 -2.320713e-01 1.779407e-01 7.053565e-02 -7.783732e-02 -1.050361e-01 -1.130668e-01 5.155730e-02 -1.121817e-01 -2.362341e-02 1.310578e-02 -7.716857e-02 -1.386746e-01 8.308265e-02 -2.667873e-03 2.623520e-02 -1.846445e-02 -1.674733e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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32 -6.830052e-02 1.373178e-01 1.402018e-01 1.573000e-01 1.889235e-01 1.575674e-03 -1.169075e-01 -7.570164e-03 4.977530e-03 5.638723e-02 -1.297008e-01 1.420601e-01 -2.508197e-01 -1.407903e-01 9.955679e-03 -1.830227e-01 1.139534e-01 -1.904396e-01 -2.667329e-02 5.041209e-02 7.263526e-02 7.508093e-02 -1.087643e-01 1.792953e-01 1.035509e-01 1.470295e-01 6.848049e-02 4.940329e-02 4.146121e-02 -1.736619e-02 2.688422e-02 -1.210310e-01 -1.929980e-01 -1.836717e-01 6.372687e-02 -1.783228e-01 2.062381e-01 -1.242741e-01 -5.613359e-02 3.541521e-03 -7.379022e-02 1.118711e-01 1.716417e-01 -1.329580e-01 1.992877e-03 -8.921328e-03 -2.486349e-02 1.387098e-01 -6.977496e-02 -1.608450e-02 7.154267e-02 1.302836e-01 -7.315765e-02 7.347989e-02 1.047314e-01 -9.058440e-02 -9.487851e-02 1.671469e-01 -5.869544e-02 -4.234045e-02 -7.307777e-02 -1.012212e-01 -1.200542e-01 -1.373317e-01 5.088389e-02 1.425416e-01 3.475867e-02 1.252389e-01 -7.337776e-02 4.276600e-02 1.294537e-01 4.853242e-02 7.879100e-02 -2.909434e-02 -1.086312e-01 -1.886000e-02 -2.124350e-02 9.513860e-02 -1.962228e-02 -6.419559e-02 1.720371e-01 -4.673236e-03 -1.495576e-01 9.359641e-02 2.375487e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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33 -1.153417e-01 1.031903e-01 4.876633e-02 1.405002e-01 7.643239e-02 4.861592e-02 -9.024421e-02 2.177192e-03 -4.003533e-02 -2.905067e-02 -7.141336e-02 7.469637e-02 -2.595580e-01 -8.786914e-02 -4.663499e-02 -4.510578e-02 1.550591e-02 -2.550547e-01 -1.719551e-01 1.688051e-01 9.500156e-02 6.417187e-02 -1.011890e-01 -1.493494e-01 -6.858341e-02 1.526059e-01 -7.192892e-02 2.059356e-01 -1.017586e-01 -3.066181e-01 -1.665064e-01 7.447149e-03 -1.487200e-02 -6.114721e-02 -3.910974e-02 9.603121e-04 -2.261312e-01 -1.086963e-01 1.077450e-01 -4.631509e-02 -9.371239e-02 7.593976e-02 -1.418479e-01 6.798231e-02 -1.503268e-02 -1.069394e-01 1.547264e-01 -2.694023e-01 1.130587e-02 3.862049e-02 -2.363362e-02 -6.467686e-03 -8.676036e-02 -9.185439e-02 -2.270574e-01 1.560792e-01 2.191737e-02 -2.536795e-01 8.325221e-03 1.009971e-01 3.351872e-02 -9.445214e-03 1.182810e-02 1.455516e-02 5.730965e-02 -8.403929e-02 2.558876e-02 -3.774404e-02 4.588114e-02 1.513087e-02 -5.498674e-02 2.129045e-02 5.977648e-02 4.699720e-02 1.074997e-01 5.324147e-02 1.906765e-02 -3.790619e-02 2.448576e-02 6.619530e-02 -1.236731e-01 2.925261e-02 6.916293e-02 1.250995e-03 -4.262871e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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34 -8.193084e-02 1.223206e-01 -9.447473e-04 1.981682e-01 -3.900953e-02 6.313011e-02 -2.892062e-01 7.197033e-02 1.155944e-01 -1.398559e-01 -3.789905e-03 2.095892e-02 2.530192e-03 -9.724116e-02 2.367699e-02 2.641233e-01 -1.582658e-01 -2.347915e-01 -6.936271e-02 8.716875e-02 -7.827926e-02 -1.351794e-01 -1.823996e-01 -3.192851e-01 -2.804460e-01 -2.805123e-02 1.284236e-01 -7.866086e-02 -6.066624e-02 1.045263e-01 -3.509547e-02 6.378552e-02 1.379143e-01 -1.448949e-01 4.355499e-03 -1.531700e-01 2.680317e-02 9.457725e-02 4.190712e-02 5.681887e-02 1.476989e-01 -6.287077e-02 -2.661532e-02 -2.055358e-02 -3.023642e-04 9.877427e-02 -1.312851e-01 1.728021e-01 -7.923263e-02 1.005320e-01 -1.157286e-02 4.490470e-02 -2.619480e-03 9.894058e-02 6.535402e-02 5.757951e-02 -3.298199e-02 1.434269e-01 1.358129e-01 -1.275869e-01 -8.711728e-02 1.037234e-01 8.352344e-02 -4.500498e-02 -6.787779e-02 -2.012038e-02 4.711505e-02 -1.581067e-02 -6.740121e-02 -1.136986e-01 4.963928e-03 -2.337495e-02 -7.870745e-02 -9.039123e-03 -2.786185e-02 -1.450435e-01 -4.932162e-03 -5.256844e-02 -6.452529e-04 1.665807e-03 -2.239306e-02 -3.683720e-02 1.051331e-01 -8.009506e-02 -8.368209e-03
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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35 1.197074e-02 1.683547e-01 -9.216867e-02 2.094649e-01 5.493390e-02 2.429596e-04 -2.069346e-01 1.261527e-01 -1.617782e-01 -6.218871e-02 8.138785e-02 -5.837456e-02 2.545996e-03 -1.875781e-01 -2.652980e-01 1.662584e-01 1.459313e-01 2.675931e-01 8.225123e-02 1.843515e-01 5.066947e-02 8.969042e-03 1.094299e-01 -3.621865e-02 2.300114e-02 -3.215572e-02 -9.400492e-03 7.288096e-02 7.180402e-02 2.800328e-02 -1.118546e-02 2.265731e-02 -1.346190e-02 -1.840013e-02 5.413034e-02 5.373004e-02 6.849126e-02 8.681313e-03 -1.073746e-01 8.934609e-02 6.346603e-02 6.586999e-02 7.864077e-02 -1.152173e-03 -8.396438e-02 -4.636015e-02 1.189329e-02 -1.631309e-01 8.790855e-02 3.929090e-02 -1.043838e-01 -2.317707e-02 6.749606e-02 3.668502e-02 7.848478e-02 -1.225904e-01 4.398277e-02 -2.257626e-01 -4.210678e-02 1.800574e-01 5.838368e-02 1.851159e-01 5.691369e-02 -3.870274e-02 -6.102804e-02 1.344055e-01 -2.095842e-01 1.317122e-02 -1.389254e-01 6.298159e-02 1.762087e-01 -6.226649e-02 -1.441651e-01 4.084812e-02 -1.087194e-01 6.222238e-02 -2.162052e-01 -5.287348e-02 -1.075973e-01 -3.051022e-02 1.234187e-01 1.103051e-01 3.637337e-02 -7.477260e-02 6.292165e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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36 3.644886e-02 1.487452e-01 -1.328074e-01 2.324618e-01 6.354747e-02 7.040656e-03 -2.196037e-01 1.496976e-01 -1.709261e-01 -4.259966e-02 1.890241e-01 -2.711840e-02 5.874342e-02 -1.599437e-01 -1.870459e-01 4.585308e-02 1.877153e-01 2.359304e-01 1.172155e-01 9.863545e-02 -3.378446e-02 1.132722e-02 9.803193e-02 -3.462172e-02 7.109320e-02 2.135199e-03 -6.749118e-02 5.811926e-02 3.689646e-02 -4.893083e-02 1.242788e-02 -8.844987e-02 -1.184133e-03 8.319388e-02 -7.004069e-02 1.298636e-01 9.171156e-02 1.541079e-02 5.009339e-02 -8.044902e-02 -8.578240e-02 -3.266562e-02 4.142627e-02 3.964033e-02 1.742412e-02 -3.388688e-02 1.781708e-03 7.523095e-02 -2.198949e-03 2.384453e-02 -4.750180e-02 -8.098057e-02 4.730599e-02 2.623668e-03 -6.739907e-02 1.171563e-01 -9.341525e-02 1.763271e-01 2.733927e-02 -2.874135e-01 3.961190e-02 -2.491962e-01 -7.081394e-02 1.476279e-02 2.295063e-02 -1.268300e-01 1.412275e-01 7.382008e-03 1.604211e-01 -4.678564e-02 -1.259157e-01 3.421474e-02 1.188786e-01 -5.522755e-02 7.882491e-02 -7.490180e-02 2.729455e-01 8.529489e-02 7.031303e-02 3.803690e-02 -1.160585e-01 -1.679285e-01 -3.194108e-03 1.160361e-01 -6.600909e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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37 -5.565520e-02 7.572433e-02 -1.039567e-01 3.389618e-01 3.589380e-03 9.186067e-03 -3.073442e-01 1.560271e-01 1.290200e-01 6.381764e-02 1.446068e-01 -7.939422e-02 2.704285e-01 1.913486e-01 2.404687e-01 -7.906742e-02 -1.921587e-01 -1.917347e-01 -1.059042e-01 -5.652498e-02 -2.218127e-02 -7.443245e-02 -8.165028e-02 1.998075e-01 1.040576e-01 -2.530533e-01 -1.804906e-01 -4.888783e-02 1.687434e-01 2.022278e-02 3.727269e-03 9.566141e-02 -1.035693e-02 3.189572e-03 5.989207e-03 6.375728e-02 -9.238921e-02 -3.110577e-02 -7.296740e-02 6.755347e-02 -1.194734e-01 1.655230e-01 -1.221455e-02 -4.526663e-02 -4.986404e-03 8.393411e-02 4.488198e-02 -4.605073e-02 -1.327859e-01 -4.006499e-02 -7.160857e-03 -1.342289e-01 2.506555e-02 4.126273e-02 -7.621856e-02 -1.012947e-02 -7.604626e-03 -6.643348e-02 -1.508762e-01 1.230216e-01 2.674706e-03 -3.879373e-02 -1.249356e-01 8.457381e-02 -1.139468e-02 1.163364e-02 -3.755864e-02 5.948467e-02 3.596446e-02 4.440736e-02 -8.902632e-02 -4.274069e-02 -5.449039e-03 -1.572578e-02 2.499993e-02 8.323206e-02 -2.865132e-02 1.008523e-01 1.267297e-02 -2.860505e-02 5.292531e-02 1.502382e-02 -6.313921e-02 1.147541e-02 1.245574e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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38 5.621115e-02 8.465473e-02 -2.762455e-01 2.232434e-01 3.605637e-02 -1.325797e-01 -5.911985e-02 -5.225492e-02 -9.638840e-02 -4.244010e-02 2.599093e-01 3.406995e-02 1.838592e-01 1.495329e-02 1.057938e-01 -1.001500e-01 -1.162518e-01 -7.586089e-02 7.276702e-02 -2.076587e-01 -9.191422e-02 -1.034347e-02 -3.659147e-02 1.545189e-01 9.167170e-02 2.293844e-01 6.340385e-02 1.212879e-01 -1.817197e-01 6.663102e-02 3.692701e-02 -1.823929e-01 -6.965762e-02 1.099554e-01 1.592027e-02 -5.710853e-02 -8.569293e-02 -9.025155e-02 1.155502e-01 -1.240733e-01 2.092941e-02 -2.025482e-01 -1.194929e-01 4.959418e-02 5.200150e-02 -1.141983e-01 7.261954e-02 6.082264e-02 1.348302e-01 2.443417e-02 -5.866386e-02 3.230954e-01 -2.310195e-01 -1.239081e-01 1.223123e-01 -1.037430e-02 9.065986e-02 4.054878e-02 1.096364e-02 6.610482e-03 -4.386160e-02 1.032947e-01 7.905407e-02 -6.631510e-02 5.971118e-02 4.546831e-02 3.171499e-03 -5.206760e-02 -4.518285e-02 5.548484e-03 7.413163e-02 -1.807547e-02 -7.109442e-02 4.428258e-02 -9.379029e-03 2.505769e-02 -6.761389e-02 -9.313543e-02 4.677315e-03 9.916361e-02 -2.170006e-02 1.455591e-02 9.227367e-02 -1.777171e-02 -4.681107e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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39 1.088422e-01 1.297301e-02 -2.550203e-01 -6.368319e-03 -1.006791e-02 -9.876678e-02 8.714759e-02 -1.908728e-01 -4.354801e-02 -8.684643e-02 1.964219e-01 -1.961873e-03 -4.998293e-02 -1.571896e-01 -8.555744e-02 7.376833e-02 -5.315892e-02 3.262617e-02 1.097728e-01 -1.668656e-01 -1.682877e-01 -1.058043e-01 8.736541e-03 5.067065e-02 -1.290965e-01 1.191224e-01 1.214374e-01 3.172017e-02 -1.016980e-01 -1.284392e-01 7.279241e-03 4.944533e-02 1.707357e-01 -3.320716e-01 -2.955795e-01 -1.757161e-01 -3.636346e-02 9.252409e-02 5.182989e-02 2.035201e-01 -1.054295e-01 1.195015e-01 3.361236e-02 4.510252e-02 -4.402742e-02 9.184480e-03 3.226220e-02 9.337899e-02 -1.783169e-01 -1.292445e-01 1.156470e-01 -7.554915e-02 4.750789e-02 4.714074e-02 7.383311e-04 -1.337125e-01 7.548821e-02 -9.699609e-02 -7.944079e-03 1.377764e-01 -7.136127e-03 -7.108695e-02 -1.559690e-01 5.133695e-02 -1.688483e-02 -4.540271e-02 -6.851150e-02 7.968773e-02 4.302614e-02 1.613948e-02 9.242993e-04 6.398241e-02 7.771961e-02 4.741436e-02 2.592883e-02 9.043653e-02 -2.082454e-02 1.229416e-01 3.422742e-02 -1.426823e-02 -1.254899e-01 5.766913e-02 -1.824968e-01 5.292495e-02 4.631437e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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40 6.627631e-02 -2.562191e-03 -3.359926e-01 -8.232299e-02 -1.686627e-01 6.555827e-02 1.110277e-01 -7.529069e-02 -1.622550e-02 -1.825819e-01 9.830010e-02 1.764200e-02 -1.239903e-01 -1.896665e-01 6.465981e-02 -1.084915e-01 2.206137e-02 -7.516004e-02 -4.594464e-02 -8.389013e-02 1.647879e-01 -1.606366e-01 -2.217131e-02 1.626918e-01 -2.510565e-01 -1.237942e-02 -1.791894e-01 -1.498595e-01 1.513463e-01 -2.116040e-01 -5.009688e-02 -2.222462e-02 1.339179e-02 -3.670608e-02 1.550685e-01 1.901825e-01 6.851441e-03 -9.349362e-02 -1.374792e-01 2.511768e-01 -1.640419e-03 2.676024e-03 1.207481e-01 -2.280700e-02 1.038949e-01 -7.444319e-03 -1.728679e-01 -1.365864e-01 6.163378e-02 -3.789907e-03 -8.423749e-02 1.093016e-01 -3.291430e-02 6.377234e-02 -3.264538e-03 1.832106e-01 -1.002080e-01 8.211025e-02 -4.929265e-02 -1.925248e-01 3.203585e-02 4.156023e-02 -9.964704e-03 3.009596e-02 1.825083e-01 -1.802961e-02 -1.673457e-02 3.356349e-02 -5.239279e-02 3.454831e-02 3.001288e-02 -1.110474e-02 -1.977741e-02 -4.169066e-02 4.093031e-02 -5.676600e-02 -5.773975e-02 -2.753945e-02 7.433806e-03 -5.252393e-02 9.754994e-02 7.729393e-03 1.304476e-01 -3.252129e-02 2.132181e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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42 1.286958e-01 -9.567929e-02 -3.311395e-02 -4.638503e-02 1.217307e-01 -5.250179e-02 -8.590592e-02 -1.188659e-01 1.803047e-02 -8.357800e-02 2.376150e-02 4.236950e-02 -6.468037e-02 -9.598022e-02 -1.506527e-03 8.156449e-02 -8.050516e-03 -3.921819e-02 -6.728840e-02 -9.450639e-02 -1.725192e-01 1.381407e-02 -7.330168e-02 -2.473868e-01 7.891923e-02 -5.886522e-02 1.149117e-01 -6.472757e-02 6.621898e-02 2.340822e-01 -2.558275e-02 -1.950052e-02 -3.827681e-02 -1.560920e-03 8.453357e-02 1.695853e-01 -2.902658e-03 -1.620210e-01 6.156147e-03 -1.996618e-01 1.252876e-01 1.202994e-01 1.330661e-01 6.628782e-02 4.537426e-02 -1.409009e-01 3.722545e-02 -2.218697e-02 -2.691116e-02 -2.850698e-02 2.140829e-01 -7.309299e-02 -4.174419e-02 3.024658e-03 -9.354585e-02 -9.384724e-03 -4.927266e-02 4.843338e-02 -3.720928e-01 -9.520706e-02 8.537372e-02 4.782819e-02 -1.730470e-01 -1.230988e-01 1.752648e-01 -1.332609e-01 -8.798561e-02 -1.751394e-01 -6.572498e-02 1.424852e-01 -5.425054e-02 7.900222e-02 -1.112069e-02 4.513047e-02 -8.321436e-02 1.311079e-01 -1.239483e-01 7.047710e-02 9.014141e-02 -3.004366e-02 -1.423491e-01 -1.515130e-02 1.652293e-01 6.373644e-03 1.712105e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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43 1.121079e-01 -1.135866e-01 -8.852280e-02 -1.101481e-01 9.798881e-02 -1.800972e-02 -1.329585e-01 -2.097474e-01 1.342564e-01 -7.439310e-02 6.460322e-02 1.382050e-02 -3.587299e-02 -1.249929e-01 3.409566e-02 -1.013043e-02 3.962563e-02 4.795251e-02 -1.864305e-01 3.426643e-02 5.012298e-03 8.070887e-02 4.572265e-02 -3.357873e-02 1.141968e-01 -1.439354e-01 -2.109608e-02 1.081514e-01 4.885159e-02 4.603018e-02 3.093226e-02 -1.104520e-02 3.139819e-02 -4.415305e-02 4.205019e-02 3.892395e-02 -2.484781e-02 -3.224817e-02 5.139545e-02 -9.945357e-02 7.607038e-02 -1.459545e-02 3.352326e-02 -8.407199e-02 -1.226655e-02 -1.310523e-01 -6.768132e-02 2.076309e-02 -3.179225e-02 1.557364e-01 -4.475745e-02 1.186379e-01 5.974438e-02 1.676757e-01 4.399270e-02 1.697737e-01 1.603553e-01 -3.670534e-02 -1.561609e-01 8.810085e-02 -7.212418e-02 1.207880e-01 -4.127357e-02 -1.300726e-02 -4.156682e-02 6.628656e-02 -3.366418e-02 2.012826e-03 8.697047e-03 -1.022766e-01 -5.273027e-02 -6.713186e-03 -1.959497e-01 1.075190e-03 3.048620e-01 -2.368411e-01 1.434143e-01 -1.644208e-02 -1.430813e-01 -3.759267e-02 -3.739793e-02 1.368809e-01 -3.599990e-01 1.119196e-01 -2.849384e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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44 8.296044e-02 -1.329261e-01 -1.063615e-01 -1.542548e-01 8.627712e-02 -3.701391e-03 -1.596950e-01 -2.214170e-01 1.863092e-01 -2.258079e-02 9.060792e-02 1.013328e-02 6.048154e-03 -1.238033e-01 5.806804e-02 -4.489943e-02 8.305660e-02 4.544259e-02 -2.259228e-01 2.239327e-01 1.712130e-01 1.019249e-01 1.044124e-01 1.793711e-01 1.522771e-01 -6.440986e-02 -8.040547e-02 1.234659e-01 -1.912788e-02 -7.007021e-03 1.564769e-01 -5.827606e-03 8.175643e-02 -2.790085e-02 -3.857680e-02 -2.074815e-01 -7.197546e-02 1.190231e-01 -1.475364e-02 -6.988193e-02 -1.415106e-01 -2.942918e-03 -1.172333e-01 -3.546272e-02 -8.467611e-02 4.474446e-02 -4.979097e-02 1.318991e-01 -9.136908e-02 1.032260e-01 -8.532767e-02 -7.044853e-03 -1.727119e-02 1.702900e-01 3.102005e-02 -1.279261e-03 -1.050538e-01 2.857612e-02 9.179587e-02 4.184199e-02 8.127221e-02 2.754093e-03 7.047880e-02 8.960767e-03 -2.914057e-02 -1.257730e-01 -1.136457e-01 -9.496120e-02 -1.776563e-03 -7.705415e-02 9.697666e-02 2.005709e-02 3.594713e-02 -3.195457e-02 -1.292274e-01 1.007643e-01 -3.569404e-02 1.120361e-01 1.432390e-01 9.799705e-02 -3.035884e-02 -1.091613e-01 3.747762e-01 -8.093364e-02 9.506674e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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45 1.203477e-01 -1.167297e-01 -4.569584e-02 -1.060571e-01 1.274315e-01 7.958040e-02 -7.500133e-02 -1.611842e-02 4.629979e-02 -7.717167e-02 6.102989e-02 -8.018639e-02 -1.665771e-03 2.093528e-03 -7.798423e-03 5.985386e-02 1.113491e-03 -3.253988e-02 -3.412976e-02 -1.458190e-01 -5.231285e-02 2.410791e-02 8.209024e-02 -2.236025e-02 1.558385e-03 -1.311242e-02 -8.001366e-02 7.927794e-02 5.443691e-02 7.737023e-04 1.322361e-01 5.426814e-02 -1.132888e-01 -3.140642e-02 1.031970e-01 -5.688601e-02 -7.672518e-02 5.953542e-02 1.342805e-01 -6.159018e-03 4.919462e-02 1.667129e-01 6.358995e-02 -2.060563e-02 -8.111759e-02 1.024345e-01 1.233926e-01 -9.023642e-02 -8.321595e-03 1.374214e-01 -2.685601e-01 -1.116418e-01 -1.425936e-01 -7.381962e-02 1.240095e-01 2.511390e-02 -2.094331e-01 -1.182979e-02 2.222376e-01 -8.067141e-02 -1.947282e-01 -1.462848e-01 -8.470836e-02 -1.837762e-01 3.366702e-02 -8.798213e-02 8.697644e-02 9.596791e-02 6.068437e-02 2.136507e-01 -8.481569e-02 -1.115860e-01 7.096795e-02 2.134009e-01 -1.611860e-01 -1.379350e-02 -5.662090e-02 -3.122796e-01 -1.708577e-01 -1.141166e-01 -1.108787e-01 7.470542e-02 -1.320056e-01 -5.689850e-02 9.598512e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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46 1.082959e-01 -1.258504e-01 3.503295e-02 -9.491531e-02 1.705338e-01 1.061453e-01 -4.738742e-02 1.023558e-01 2.859277e-02 -8.429398e-02 4.710052e-02 -6.601970e-02 5.418207e-02 4.475799e-02 -9.825800e-02 9.592646e-02 -1.355398e-02 -1.240141e-01 5.259578e-02 -1.404175e-01 -1.277955e-01 -3.426779e-02 -5.916212e-02 5.542438e-02 -6.687414e-02 1.629834e-01 -3.026397e-02 -1.269124e-03 5.029378e-02 -3.093927e-03 8.907940e-02 -4.967324e-02 -2.265417e-01 -1.261179e-02 2.955491e-01 3.281412e-02 5.401780e-02 1.989893e-02 6.393273e-02 1.080191e-01 4.357729e-02 2.421319e-01 1.834507e-01 -4.122544e-03 2.001374e-03 2.191854e-02 4.101035e-02 2.982268e-02 4.974144e-02 1.118216e-01 -1.616546e-01 3.150674e-02 1.021090e-01 -5.114838e-02 2.178095e-02 -1.198057e-01 9.774330e-02 -1.785248e-01 4.591951e-02 8.660706e-02 1.600018e-02 1.076482e-01 1.898596e-01 1.074041e-01 -9.576161e-02 -2.679902e-02 2.444226e-02 -4.785734e-02 -1.694785e-01 -1.089505e-01 9.024806e-03 1.734876e-01 2.419134e-01 -2.607065e-03 1.636542e-01 -5.231083e-02 1.352651e-01 2.270461e-01 2.174405e-01 1.046944e-01 -4.484505e-02 -9.944637e-02 8.368110e-02 3.518279e-02 -8.557200e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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47 4.759073e-02 -1.755125e-01 8.389956e-03 -1.780845e-01 1.736422e-01 5.227342e-02 -1.291680e-01 6.415274e-02 5.875581e-02 -7.291602e-03 8.626011e-02 6.979060e-02 9.258735e-02 8.616850e-02 -8.796310e-02 1.150970e-01 5.697863e-02 -9.297983e-02 3.678823e-02 1.362644e-01 -4.352012e-02 1.010761e-01 -1.779038e-01 8.758978e-02 -2.233004e-02 1.800394e-01 -6.528835e-02 7.042968e-02 -3.787841e-02 -1.791123e-01 -1.840258e-01 -6.015504e-02 8.182624e-02 1.036241e-01 -1.209007e-01 1.818354e-01 1.606562e-01 5.488329e-02 -6.174055e-02 -6.722676e-03 -5.327730e-02 -3.059623e-02 3.015331e-02 -1.352587e-01 1.408735e-01 1.387254e-01 -3.947488e-02 1.609436e-02 7.569171e-02 -1.477198e-01 4.964719e-02 1.070797e-02 -6.435825e-02 8.844381e-03 -5.339925e-02 -1.277915e-01 -7.494647e-02 1.498295e-01 -3.425896e-02 -7.125095e-03 -7.852079e-02 1.522770e-02 -4.752365e-02 3.298117e-02 -1.180566e-01 1.022401e-01 -1.463381e-01 -7.628543e-04 3.473409e-02 1.212655e-02 -8.870665e-02 -3.598746e-01 -6.911120e-03 6.206011e-02 1.250211e-01 -1.492612e-01 -3.057104e-01 -1.079374e-02 8.823229e-02 9.904038e-02 -1.785097e-01 4.871361e-02 -1.054441e-02 7.265809e-02 2.983755e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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48 7.683315e-02 -1.609905e-01 1.108895e-02 -1.502399e-01 1.605795e-01 7.863693e-02 -1.319445e-01 7.793438e-02 6.180332e-02 -5.205507e-02 9.956568e-02 -1.583872e-02 9.432371e-02 5.890719e-02 -8.451951e-02 1.178813e-01 -3.190284e-02 -1.042051e-01 -1.210236e-02 6.368772e-02 -7.240010e-02 8.555270e-02 -1.542890e-01 7.831183e-02 -9.643025e-02 1.120862e-01 -1.895986e-02 2.541997e-02 -1.353023e-01 -1.888663e-01 -4.910241e-02 1.976149e-02 5.675757e-02 1.072675e-01 -1.010104e-01 4.999425e-02 1.082480e-01 6.513544e-02 7.050956e-02 -6.584242e-02 1.464595e-02 -8.729148e-02 7.142744e-02 8.418240e-03 1.575941e-01 1.550735e-01 4.901076e-02 7.753511e-03 3.541297e-02 -3.252834e-02 -1.917046e-02 1.883567e-02 1.175203e-01 7.320526e-02 2.323481e-02 1.037849e-01 1.545138e-01 -5.388541e-02 -6.698014e-02 -2.468908e-02 1.283587e-01 -3.303286e-02 -4.057253e-02 -4.691126e-02 1.336053e-01 2.263115e-02 7.281698e-02 2.415594e-02 1.239242e-01 5.378776e-02 8.175167e-02 2.974614e-01 -2.078510e-01 -1.004712e-02 -1.597940e-01 2.937205e-01 2.022936e-01 -3.951241e-02 -1.996990e-01 -1.412438e-01 3.148798e-01 -2.825490e-02 -8.035674e-03 -5.093134e-02 1.260102e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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49 6.594518e-02 -1.641641e-01 1.530331e-01 -2.376210e-02 1.363247e-01 1.164111e-01 -1.180636e-01 5.963617e-02 4.339450e-02 -5.269619e-02 8.079417e-02 -1.904420e-02 7.375580e-02 -2.170740e-02 1.069875e-02 6.619431e-02 -2.994716e-02 -1.908258e-02 1.574401e-02 -1.802749e-02 7.946933e-02 8.090914e-02 -6.744291e-02 -1.292022e-02 -4.376187e-02 1.631287e-01 -8.405420e-02 -1.715311e-01 -4.949840e-02 1.675526e-01 1.836760e-01 3.670084e-04 -4.344047e-02 -1.897456e-02 -1.721894e-01 2.279280e-02 -4.238212e-02 -1.345767e-03 -2.127644e-01 2.899076e-01 -1.785869e-01 -2.925797e-01 -2.639978e-01 1.283554e-01 -1.377513e-01 -1.971801e-01 -6.365486e-02 -4.496410e-02 -2.524944e-02 5.352288e-02 4.842814e-02 1.796118e-02 7.470602e-02 -1.428435e-01 -4.060359e-03 1.301410e-01 -1.379486e-01 -1.503504e-01 -8.999688e-02 -1.668873e-02 1.194043e-01 -3.403663e-02 -5.382302e-02 -1.390373e-01 5.900829e-02 2.696594e-02 3.212122e-02 -9.099312e-02 -1.659904e-01 1.154822e-01 1.061985e-01 -1.249415e-02 1.390103e-01 -2.558720e-02 -3.382074e-02 -1.775785e-01 1.556087e-02 1.685494e-02 -1.038050e-02 -4.973603e-02 6.263314e-03 -4.287462e-02 -1.556853e-01 8.397386e-02 4.216168e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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50 1.197427e-01 -1.207130e-01 9.828557e-03 -6.465718e-02 5.675001e-02 1.161606e-01 -8.104646e-02 1.613632e-01 2.309464e-02 -7.976810e-02 -2.300489e-02 -4.011423e-02 3.266870e-03 3.003459e-02 1.846194e-02 6.117915e-02 2.173694e-03 3.146706e-02 9.505126e-02 -6.777853e-02 7.794169e-02 -6.856700e-03 1.337980e-01 -8.762547e-02 -1.001861e-01 2.807659e-02 -1.036814e-02 -2.417645e-02 -6.460791e-02 9.708280e-02 8.951600e-02 6.485815e-02 -1.309695e-01 -1.246647e-01 -9.193829e-02 -1.395826e-01 -1.131896e-02 -1.373469e-01 1.101012e-01 -6.666947e-02 8.000763e-02 1.714240e-02 -1.493801e-01 9.447865e-02 -1.738018e-01 -1.349324e-01 2.062537e-01 -8.755232e-02 1.169003e-01 -2.660998e-01 -1.120702e-01 1.656702e-03 -5.893140e-02 2.548432e-01 -1.815510e-01 2.043775e-02 -5.386043e-02 2.684883e-01 -9.954619e-02 4.664724e-02 -1.086168e-01 -1.259714e-02 8.547431e-02 1.356066e-01 1.992630e-01 7.452630e-02 -1.026125e-01 2.848285e-01 9.027001e-02 -5.876727e-02 -6.854615e-05 -7.348099e-02 4.066288e-02 -9.987133e-02 1.255979e-01 6.623955e-03 -1.475383e-02 8.365202e-02 3.066487e-02 5.314686e-02 2.059778e-01 1.193484e-01 8.535514e-02 -7.948413e-02 -2.962442e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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52 1.401019e-01 -7.723807e-02 2.344951e-02 9.732533e-03 -1.157518e-02 7.072134e-02 -8.030701e-02 1.431387e-01 -4.661395e-02 -4.563848e-02 -1.021582e-01 -7.377503e-02 -7.793815e-02 -4.642252e-03 4.042582e-02 -5.296407e-02 -4.716721e-02 1.163943e-01 5.196471e-02 1.164612e-02 9.402218e-02 -6.205931e-02 8.491397e-02 7.656423e-02 2.630507e-02 -4.000901e-02 5.085371e-03 1.111197e-01 -6.715942e-02 -6.887814e-02 9.252487e-02 -5.435555e-02 7.443623e-02 -6.950310e-02 -2.789920e-02 1.219599e-01 -1.903889e-01 6.651608e-03 1.684071e-01 3.866580e-02 3.814220e-02 -1.425163e-02 -3.175863e-02 -5.388694e-03 6.612434e-02 1.643957e-01 -1.456235e-02 1.966283e-02 1.189271e-01 -1.252135e-01 1.480129e-01 3.580406e-02 1.133044e-02 5.234245e-02 3.545068e-04 -7.906912e-03 -1.452643e-01 -1.034825e-01 -2.136329e-01 3.080682e-02 -3.023084e-01 -9.836459e-02 -1.108262e-01 -6.648301e-02 -1.522004e-01 5.770290e-02 3.611600e-01 -2.196875e-02 -3.239229e-01 -2.364043e-01 1.450821e-01 4.414097e-02 -1.784338e-01 -9.681465e-03 5.680490e-02 5.991640e-02 -7.938628e-03 -6.156418e-02 1.539316e-01 -1.407779e-01 -9.988035e-02 -5.198332e-02 4.568062e-02 -5.346517e-02 8.527370e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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53 1.327054e-01 -9.010439e-02 1.466302e-02 1.798795e-02 9.448321e-02 4.602316e-02 -9.226280e-02 1.038199e-01 -6.851299e-02 -8.507210e-02 -1.334673e-01 -3.182662e-02 -8.577980e-02 2.350647e-02 1.333927e-01 -5.493501e-02 -1.248624e-01 8.690502e-02 5.172344e-02 -7.813625e-02 4.516355e-02 -1.721279e-01 1.090876e-01 -5.781966e-02 -1.276788e-02 -2.640323e-02 -7.060191e-02 1.180529e-01 3.349391e-02 -1.621616e-01 -3.702734e-02 1.203682e-01 1.805890e-02 1.387538e-02 -1.248784e-02 -3.729002e-02 9.372706e-02 -1.197483e-01 -2.551301e-02 -5.580734e-02 1.025819e-01 1.362806e-01 -2.052431e-01 -2.390216e-02 -1.107268e-01 2.571688e-03 -1.581161e-01 1.942646e-01 3.815749e-02 -9.492279e-02 2.646904e-03 1.314655e-01 9.261947e-02 -1.042842e-01 1.411323e-02 -2.759660e-02 1.645891e-01 1.537091e-02 5.736196e-02 1.616190e-02 2.125309e-01 -9.696395e-02 -5.053125e-02 -5.860734e-02 2.303516e-03 9.691598e-03 -1.159011e-01 -7.492463e-02 2.921221e-02 -1.758455e-02 -2.615106e-02 1.336318e-03 1.109894e-01 4.279341e-02 -1.172846e-01 3.049894e-02 -2.065879e-01 -8.148057e-02 -4.975121e-02 -3.133612e-01 -8.396635e-02 -1.402678e-01 1.325078e-01 2.091094e-01 -3.726025e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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54 1.378308e-01 -7.802279e-02 1.122410e-02 3.926068e-02 1.042786e-01 3.180315e-02 -8.602067e-02 6.739650e-02 -6.540439e-02 -5.950722e-02 -1.480490e-01 -2.267921e-02 -7.200129e-02 9.898225e-03 1.439882e-01 -7.199530e-02 -8.238219e-02 9.740600e-02 4.138374e-02 -8.004896e-02 5.879366e-02 -1.648894e-01 3.941041e-02 -5.975838e-02 -1.004126e-02 -1.377723e-02 -5.674730e-02 1.555652e-01 6.370821e-02 -1.493073e-01 -5.022355e-02 1.249951e-01 9.285491e-03 7.945213e-02 -1.556627e-02 -9.327725e-03 5.423239e-02 -8.246092e-02 -2.563501e-02 -1.771407e-02 7.371925e-02 9.609355e-02 -7.584300e-02 -9.351420e-02 -6.785845e-02 2.715409e-03 -5.450334e-02 1.607745e-01 1.995712e-02 -5.576326e-02 1.569395e-02 7.733132e-02 2.123847e-02 -1.207161e-01 3.178073e-02 8.544372e-02 8.139083e-02 5.167052e-02 1.372175e-01 -3.101427e-02 1.668961e-01 2.009753e-03 -5.078697e-02 -3.214847e-02 -5.519100e-03 1.149449e-02 -7.700383e-02 -1.506631e-01 -8.510786e-03 6.537521e-02 9.347198e-02 -1.894273e-02 -1.244146e-01 1.028043e-04 6.020999e-02 -6.553628e-02 2.037911e-01 9.225100e-02 2.146171e-02 3.768852e-01 -2.944849e-03 1.409095e-01 -2.092503e-01 -1.899130e-01 4.733306e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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56 1.468647e-01 -4.271960e-02 1.229131e-02 3.708443e-02 1.122832e-01 -4.974141e-02 -3.060684e-02 -4.726878e-03 -7.595430e-02 -3.611163e-02 -1.646761e-01 2.579946e-04 -4.894210e-02 6.445017e-02 5.813262e-02 -1.157942e-01 -3.207913e-02 3.875131e-02 -2.308602e-02 -4.333125e-02 3.410465e-03 -1.246384e-01 -1.043355e-01 -4.803900e-02 -1.300169e-02 6.376784e-03 1.235608e-01 1.436595e-01 -4.552117e-04 3.881911e-02 -2.393267e-02 -5.795151e-02 1.200702e-01 -8.143427e-03 2.480492e-03 -2.739835e-02 5.341072e-02 8.846496e-02 -1.296346e-01 3.570724e-02 -1.549831e-01 -1.241805e-01 1.440456e-01 -1.138524e-03 5.761821e-02 -7.454475e-02 -2.252798e-02 -1.097851e-01 1.204818e-02 4.910768e-02 -1.633170e-01 -7.616950e-02 5.716677e-02 6.578370e-02 -1.898933e-02 -6.077017e-02 1.101857e-01 7.902581e-02 -5.497678e-02 1.339069e-01 -1.766086e-02 2.190928e-01 -5.558199e-02 1.482737e-01 2.055543e-01 -2.912086e-02 5.523004e-02 1.362848e-01 -1.630391e-01 1.380265e-02 -6.549407e-03 -4.162227e-01 5.383856e-02 -3.454726e-02 -1.655625e-01 1.407133e-01 3.343960e-01 -7.426760e-02 -7.934276e-02 -2.652426e-02 -1.686828e-01 -2.647287e-01 2.013643e-02 -3.483983e-02 -2.583234e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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58 1.412674e-01 -2.053790e-02 -8.912807e-03 1.044199e-01 1.765817e-01 -8.426896e-02 7.415885e-02 -4.445422e-02 -1.287465e-01 -8.655594e-02 -7.251220e-02 6.204738e-02 2.031534e-02 1.117212e-01 5.204536e-03 -8.426136e-02 1.678881e-01 -8.746054e-02 5.316002e-02 3.587971e-02 -1.205875e-02 -2.635470e-02 -6.843091e-02 2.697096e-04 -1.101220e-01 -1.509554e-01 4.895269e-03 -5.370086e-02 1.578086e-02 1.609317e-02 1.056781e-01 -3.031752e-02 3.066924e-02 8.642941e-02 -9.060053e-02 -1.098895e-01 7.328368e-02 -6.948007e-02 4.727456e-02 1.782725e-02 -1.103211e-03 1.553444e-02 -1.734124e-02 2.822165e-02 -4.262262e-02 3.226454e-02 -3.985286e-02 -1.321663e-01 -7.748366e-02 1.105935e-01 6.725908e-02 -4.169291e-02 -1.554694e-02 2.037048e-02 3.789198e-02 1.529269e-02 6.200301e-02 -2.026223e-02 -5.234991e-02 2.818469e-02 5.422087e-02 1.554393e-02 1.586711e-01 -1.451661e-02 -5.562191e-02 -1.210781e-01 -5.226611e-02 1.398497e-01 2.167352e-01 6.122297e-02 1.302290e-01 1.902843e-02 -1.924332e-01 2.072800e-01 1.440475e-01 -1.062069e-01 -6.194999e-02 -2.353583e-01 4.872389e-01 -1.230335e-01 1.375589e-01 -2.779597e-01 -1.034094e-01 -5.370079e-03 8.440749e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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59 1.387954e-01 -4.064359e-03 -8.778726e-03 1.036736e-01 1.675100e-01 -5.968585e-02 9.180841e-02 -7.603579e-03 -1.604016e-01 -1.074125e-01 -6.787040e-02 4.729482e-02 1.626351e-02 1.231152e-01 -3.243884e-02 -1.022712e-01 2.015686e-01 -1.176113e-01 2.660047e-02 -2.648610e-02 2.040017e-02 6.860271e-03 -6.992509e-02 3.724376e-02 -1.375252e-01 -2.092761e-01 -1.973192e-02 -1.040437e-01 3.010181e-02 -1.601050e-02 2.588547e-01 -7.338854e-02 -3.380557e-02 8.387407e-02 -2.259902e-01 -1.736485e-01 2.017798e-01 -1.449281e-02 1.042715e-01 3.306108e-02 -3.326454e-03 2.298040e-02 -1.377990e-02 -6.801034e-03 -9.117049e-02 1.655933e-01 -5.332275e-02 -1.942573e-01 -1.162605e-02 5.919444e-02 4.083500e-02 5.970605e-02 -1.004030e-02 4.938749e-02 -4.012496e-02 -8.335445e-02 3.948468e-02 -1.401121e-01 -2.843684e-02 -8.909661e-02 -7.830075e-02 1.356282e-02 -4.511425e-02 1.612840e-03 6.463894e-02 1.232277e-01 4.468500e-02 -2.359958e-01 -1.679546e-02 -1.085230e-01 -2.643667e-01 5.380969e-02 -4.404374e-02 -1.501625e-01 -6.340040e-02 -8.452743e-02 -3.471001e-02 7.559676e-02 -2.689740e-01 1.309033e-01 -1.422405e-01 1.575601e-01 1.728066e-01 -2.842319e-02 -3.647684e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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62 1.195838e-01 7.098375e-02 -9.080271e-02 1.629684e-01 7.848404e-02 7.064603e-02 1.959280e-01 -1.032047e-01 2.378229e-01 3.593213e-02 -7.458901e-02 -3.723973e-02 4.927872e-02 5.386899e-02 4.531508e-02 1.790582e-01 3.810137e-02 1.983336e-02 4.155320e-02 1.215646e-01 -2.163851e-02 4.746211e-02 1.568567e-01 9.869271e-02 -8.744478e-02 1.168070e-01 -5.594989e-02 1.723585e-01 4.780220e-02 2.637576e-02 -8.507713e-02 2.762610e-01 5.486195e-02 -1.187090e-01 4.268038e-02 -5.092822e-02 -9.968924e-03 -1.191548e-01 -8.267975e-02 -3.419274e-02 -4.843404e-02 -1.856764e-02 -4.333715e-02 3.578035e-02 1.039889e-01 5.629641e-02 1.225874e-01 -1.817172e-03 -7.434764e-02 6.076737e-02 1.082030e-01 5.555041e-02 5.538829e-02 -1.916294e-03 4.139077e-02 -2.198838e-01 2.786063e-02 -1.557870e-02 -1.944002e-01 -1.838146e-01 1.662843e-03 -1.417862e-01 1.173779e-01 -4.950978e-02 -2.991290e-02 2.039430e-01 -3.602586e-02 -5.289556e-02 -1.460310e-01 2.611172e-01 -1.399393e-01 -9.327887e-03 3.542252e-02 -7.760666e-02 1.173233e-01 -9.235765e-02 2.149736e-01 -2.266263e-01 1.177000e-02 2.774123e-02 4.063263e-02 -4.410824e-02 1.363204e-01 -1.054892e-01 -5.877106e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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63 1.266497e-01 9.479630e-02 -5.889994e-02 8.517347e-02 8.478959e-02 5.765224e-02 1.693896e-01 9.378977e-03 8.202691e-02 -7.382663e-03 -1.110869e-01 -4.136291e-02 -3.926275e-02 -2.942122e-02 -3.574220e-02 1.812884e-01 -7.056392e-02 -1.263374e-01 -7.250544e-03 6.459208e-02 -7.159295e-03 -3.903293e-02 8.537064e-02 1.593073e-01 1.103818e-01 6.459972e-02 -4.685552e-02 -1.530109e-02 -1.232479e-02 1.157359e-01 -2.599965e-02 1.075470e-01 1.456734e-01 -5.898426e-02 2.327903e-02 8.048542e-03 3.829084e-02 -1.131614e-01 1.049412e-03 -1.417268e-01 -1.622255e-02 -1.709782e-01 -7.469758e-02 -8.054964e-02 -8.460363e-02 2.345863e-01 1.445371e-01 -2.642565e-01 1.593426e-01 2.113322e-01 -7.407636e-02 -1.857408e-02 5.014123e-02 -1.461556e-01 1.789550e-02 -1.419180e-02 1.291592e-01 1.673058e-01 7.534042e-02 -1.342520e-01 5.659757e-02 4.816557e-02 -1.295614e-01 7.527246e-02 5.182315e-02 -2.338292e-01 -2.172642e-02 6.058538e-02 -5.758455e-02 -1.821720e-01 1.311725e-01 3.799731e-02 -1.420160e-02 -5.427044e-02 1.053712e-02 -1.488549e-02 -1.656443e-01 2.984304e-01 -2.152209e-02 -1.739128e-01 -9.388477e-02 1.678566e-02 -1.658271e-01 2.948320e-02 8.949833e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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64 1.381613e-01 5.911690e-02 -8.748324e-03 1.210933e-01 9.061776e-02 1.541471e-02 9.707168e-02 -4.691784e-02 1.753558e-03 2.864352e-02 -5.750344e-02 -1.410638e-02 -1.291810e-01 -9.976422e-02 1.897731e-03 1.026661e-01 -2.439045e-01 -4.382069e-02 -1.369876e-01 8.342614e-02 8.524748e-02 -3.181804e-02 -9.023659e-04 4.172922e-02 1.034968e-01 1.090235e-03 -9.214750e-02 -1.577345e-01 -1.420411e-01 1.313172e-02 -8.327460e-03 -2.106417e-01 -6.631812e-02 1.035431e-01 4.693497e-02 1.400741e-01 3.192421e-03 1.789379e-01 1.420737e-01 1.254287e-01 1.657932e-02 -9.816993e-02 9.063154e-02 -1.177888e-01 -1.842473e-01 -7.159100e-02 -5.715588e-02 1.095101e-01 1.318197e-01 -1.136833e-01 -5.476256e-02 -1.096663e-01 9.953429e-03 3.628338e-02 -3.446914e-02 -1.312617e-01 9.216031e-02 3.247659e-02 3.784834e-02 1.787793e-01 7.237875e-02 -9.015009e-02 2.014112e-02 -1.361330e-01 2.548699e-02 5.072144e-02 -3.856847e-02 1.604283e-01 8.226405e-02 1.946166e-01 -1.882811e-01 1.774014e-01 -9.734651e-02 -3.349133e-01 5.596831e-02 -7.303590e-02 -4.806119e-02 -1.021302e-01 4.395020e-02 -3.647068e-02 -1.873356e-01 -8.702111e-02 -5.283367e-04 -1.763372e-01 3.935197e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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65 1.353014e-01 7.060956e-02 -3.351342e-02 1.248354e-01 9.092228e-02 2.038643e-02 1.416503e-01 -5.678331e-02 7.272868e-02 5.930024e-03 -9.822217e-02 -5.392067e-02 -8.256141e-02 -4.173727e-02 1.862049e-03 1.321354e-01 -1.700289e-01 -3.931114e-02 -7.714595e-02 9.078293e-02 1.095915e-01 7.330908e-03 2.386766e-02 1.718307e-02 6.935141e-02 -7.283009e-03 -4.842952e-02 -1.509957e-01 -1.183275e-01 1.751904e-02 2.173414e-03 -4.473808e-02 -3.534872e-03 6.071985e-02 -6.628028e-02 8.771273e-02 -3.110176e-03 -6.534094e-03 2.232025e-01 1.016309e-01 8.357177e-02 -4.413098e-02 8.146845e-02 -8.350087e-02 -1.463654e-01 -7.767044e-02 -6.406584e-02 1.622683e-01 1.323671e-01 -1.198038e-02 -2.009763e-03 -7.185238e-02 -5.600574e-02 3.251423e-02 5.048391e-02 -6.632587e-02 -1.621160e-02 -1.821958e-01 -1.197481e-01 -1.634612e-01 -2.660572e-02 1.033169e-02 -1.341051e-01 2.801349e-01 -5.549276e-02 -3.628454e-02 3.223625e-02 -1.149879e-01 9.990801e-02 -3.108861e-02 2.901718e-02 -2.159844e-01 1.146516e-01 3.654596e-01 -9.580594e-02 4.061935e-02 9.724762e-02 -2.435423e-02 -1.127002e-02 1.692024e-01 2.960430e-01 7.452985e-02 5.972077e-02 2.144276e-01 -4.318739e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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66 1.198223e-01 1.100132e-01 -3.782575e-02 2.021744e-02 8.336241e-02 3.899443e-03 8.836090e-02 3.227212e-02 1.938755e-01 8.517516e-02 -2.688415e-02 -8.040445e-02 -3.096960e-02 6.039281e-02 5.612422e-02 2.639112e-01 -7.906463e-02 5.964029e-02 -3.779850e-02 -6.245735e-02 1.886776e-01 -8.302326e-02 8.169683e-02 -1.791104e-01 1.406339e-01 -5.410819e-02 -8.406451e-03 -8.630121e-02 3.581032e-02 -8.600941e-02 2.231968e-02 -8.702676e-02 -2.188883e-01 1.136976e-01 -2.421608e-01 4.050598e-02 8.132557e-02 -1.118979e-01 -6.722278e-02 7.187843e-02 -2.908050e-01 7.336956e-02 2.082081e-01 1.525887e-01 1.609263e-01 5.734969e-03 3.565141e-02 6.217932e-03 -1.696357e-01 -4.659937e-02 2.001755e-02 1.593612e-01 -1.226701e-01 5.197585e-02 -1.567318e-01 1.282198e-01 7.777856e-02 5.038410e-02 1.279398e-01 -6.719652e-02 -1.791664e-01 5.277260e-02 2.289642e-01 -6.728699e-02 -6.595905e-02 -6.823009e-03 -1.158310e-01 -6.695846e-02 -4.070550e-02 -7.414099e-02 1.582170e-01 4.838069e-02 -4.476040e-02 4.193579e-02 -4.462751e-02 1.415556e-01 -1.847719e-02 -1.924719e-02 -3.044471e-02 -4.146960e-02 -1.360567e-01 -8.203647e-03 -7.584567e-02 4.241344e-02 -2.024342e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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67 1.289151e-01 1.127994e-01 -6.949279e-03 2.711342e-02 2.105862e-02 3.443820e-02 3.487367e-02 2.522572e-02 8.976940e-02 1.155799e-01 3.010548e-02 -9.625607e-02 -3.555068e-02 -3.536177e-02 1.463533e-02 5.668009e-02 -5.184040e-02 5.089098e-02 6.245132e-02 -4.835270e-02 3.619729e-02 -3.699164e-02 4.118285e-04 2.864518e-02 2.336335e-01 -1.181283e-02 1.145643e-01 -6.147051e-03 -1.096500e-01 -1.340459e-01 -9.172229e-02 -1.784897e-02 8.533134e-02 1.009283e-01 -8.922838e-02 -1.952679e-01 1.535201e-01 -4.299219e-02 -6.544697e-02 -8.384544e-03 1.288181e-01 8.258466e-02 3.534474e-02 2.101515e-01 8.763975e-02 2.214029e-01 -4.076107e-02 -7.446159e-02 9.045666e-02 -1.639665e-02 6.782811e-02 -5.807465e-02 4.700823e-02 -1.724400e-02 9.985758e-02 2.424501e-01 -2.922758e-01 5.926489e-02 4.067788e-03 3.172331e-01 4.385329e-02 2.514674e-01 -1.130134e-01 -3.554145e-02 9.052223e-02 -8.917396e-02 1.241494e-01 -1.321347e-02 -5.287101e-02 2.026965e-01 -1.099508e-01 7.817623e-02 9.553553e-02 5.400962e-02 6.176245e-02 -2.573995e-01 3.400455e-02 3.110311e-02 5.975612e-02 4.718442e-02 1.024741e-01 4.121762e-02 1.128850e-01 -2.374858e-02 -1.238835e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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68 1.395633e-01 8.311584e-02 -3.172973e-03 2.286763e-04 6.168516e-03 9.567072e-02 1.172357e-02 1.362822e-02 1.016753e-02 3.812130e-02 8.405459e-03 -1.069378e-01 4.600865e-03 -7.487172e-02 -7.125561e-03 -5.625109e-02 -1.275739e-01 1.652393e-02 -3.292858e-02 -3.796024e-02 -9.726604e-02 -3.504414e-02 4.245297e-03 7.909989e-02 1.567199e-01 8.762001e-02 1.674786e-01 2.849279e-02 2.536593e-03 -1.091182e-01 -1.665253e-02 7.376454e-02 -5.827083e-02 1.544813e-01 -9.673633e-02 -6.027435e-02 -2.544576e-02 1.309721e-01 3.740502e-02 9.854307e-03 3.265407e-01 -2.607351e-02 -1.363552e-01 -2.219865e-01 1.617422e-01 -1.598412e-01 -2.617256e-01 -2.745586e-01 -2.369633e-01 1.283431e-01 3.769431e-02 -1.460115e-01 1.179450e-01 3.702010e-02 -5.883206e-02 6.489928e-02 8.243167e-02 -3.685557e-02 -6.756307e-02 -1.221414e-01 -1.486113e-01 -1.022895e-01 2.279410e-01 -1.844111e-01 7.289138e-02 1.544848e-01 2.209797e-02 8.891009e-02 7.020756e-02 -3.724608e-02 5.789701e-02 -1.067331e-01 1.695740e-01 -3.563019e-02 -7.331557e-02 5.890124e-02 -5.429461e-02 1.358553e-01 8.328146e-02 2.499985e-02 1.606301e-02 6.849565e-02 1.565595e-02 -5.815482e-03 3.053952e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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69 1.343295e-01 9.487792e-02 3.824024e-02 -2.943877e-02 -1.921460e-03 1.101655e-01 3.914520e-02 2.842437e-02 6.531819e-03 9.274276e-02 1.006271e-01 -1.067875e-01 2.053013e-04 4.116929e-02 -6.674035e-02 -1.225734e-01 -1.277364e-02 -9.879622e-03 -6.245586e-02 4.496797e-02 -3.873200e-02 1.498391e-03 -1.523543e-01 -2.992134e-02 -4.803515e-02 1.433144e-02 1.411930e-01 3.244321e-02 1.438508e-01 -6.113300e-02 6.966341e-03 2.444080e-01 -1.767718e-01 4.142381e-02 4.207887e-02 5.292333e-02 6.295880e-02 1.644932e-02 6.976078e-02 7.250742e-02 -7.451997e-02 1.554567e-02 -1.089401e-01 9.676161e-02 3.424503e-02 -9.959252e-02 -6.726018e-02 8.627170e-02 9.261056e-02 9.640810e-02 1.014810e-01 -5.748391e-03 -1.336351e-02 -7.464213e-02 7.284379e-02 -1.727519e-01 -6.934350e-02 -1.707965e-02 -4.314514e-02 5.569059e-02 -2.595724e-01 -9.759531e-03 -1.934519e-01 1.350852e-01 2.380151e-02 -2.167220e-01 -1.154433e-01 -5.939820e-03 2.815265e-01 4.295217e-02 4.135557e-01 2.125747e-02 -1.141036e-01 -2.152161e-01 3.923525e-02 -1.406778e-01 7.074101e-02 -4.301407e-02 -1.240465e-01 -1.650304e-03 -1.143325e-01 2.234769e-02 1.506180e-01 -4.604106e-02 -7.895138e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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70 1.219359e-01 1.162154e-01 3.656680e-02 -3.945938e-02 -3.109719e-02 1.153053e-01 6.681415e-03 -1.340382e-02 2.305368e-02 1.755234e-01 1.425709e-01 -9.524818e-02 -1.751456e-02 1.987201e-02 -6.278970e-02 -1.704402e-01 -2.570793e-02 -5.004931e-03 1.848644e-02 1.993060e-02 2.827911e-02 5.973036e-02 -9.516028e-02 -2.812867e-02 -3.745335e-02 8.905460e-02 1.586318e-01 2.190985e-02 9.900639e-02 -5.980188e-02 1.782838e-02 2.646943e-01 -5.188625e-02 -5.630880e-03 6.189987e-02 -1.849467e-02 1.441318e-01 -8.355854e-03 -6.102013e-02 5.939800e-03 -5.732228e-02 -9.222144e-02 -3.332720e-02 1.892126e-01 -1.796357e-01 -5.516559e-02 -1.588595e-01 1.018840e-01 2.458765e-01 1.455140e-01 -8.109868e-04 -5.341360e-02 -2.128667e-01 1.958900e-01 -2.774508e-02 1.199417e-01 1.138442e-01 -4.823354e-02 6.334512e-02 -4.307804e-02 -4.448857e-02 -9.368634e-02 3.657087e-02 3.822015e-02 -7.186955e-02 2.841141e-02 1.154640e-02 5.135630e-02 -1.951298e-01 6.531183e-02 -3.769388e-01 9.546555e-03 -2.139251e-01 1.344718e-01 -3.440393e-03 2.070021e-01 -8.672583e-02 1.471741e-01 1.150076e-01 -3.557548e-02 -2.799830e-02 -3.824105e-02 -7.312329e-02 3.688395e-02 6.062871e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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75 1.503588e-01 1.736365e-02 2.866191e-02 1.470628e-02 -2.565314e-02 4.460216e-02 -1.181385e-02 2.452506e-02 -1.562976e-01 1.021624e-01 -2.440100e-02 2.521924e-03 4.359619e-02 1.670519e-02 8.285936e-02 2.419768e-02 8.223043e-02 2.024586e-02 -6.681486e-02 -7.203977e-02 4.600824e-02 2.127004e-01 -3.288119e-02 -8.968008e-02 -4.593994e-02 -4.979456e-02 -1.405738e-01 -1.533844e-01 -1.252545e-01 1.638532e-02 -1.158728e-02 -3.312158e-02 2.431301e-02 -1.065431e-01 -9.071749e-02 -7.392829e-02 -1.036816e-01 -2.110436e-01 -2.600509e-03 -2.622042e-02 -1.123304e-01 4.684242e-02 -4.906333e-02 -1.283867e-01 2.459078e-01 -1.581591e-01 -1.258363e-01 4.044853e-02 9.232766e-02 6.212097e-02 -8.297274e-02 -2.007944e-01 4.543807e-02 -7.377010e-02 1.677205e-01 -1.032798e-02 7.437908e-02 8.569164e-02 1.443473e-01 -7.429456e-02 -5.352113e-03 1.732137e-01 -1.879901e-01 -4.113384e-02 -1.585388e-01 2.759736e-01 -8.031579e-03 1.491149e-01 2.957518e-02 8.838316e-02 3.807622e-02 9.999845e-02 2.233584e-02 2.076680e-01 2.216347e-01 8.971088e-02 7.008586e-02 1.515563e-01 -5.366643e-02 -1.326358e-01 -1.198269e-01 2.638398e-02 2.195499e-01 -1.071124e-01 4.095789e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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77 1.439274e-01 -2.948472e-02 1.323474e-02 5.862256e-03 -7.824415e-02 -1.336127e-01 -6.576719e-02 -1.591531e-02 -1.842877e-01 1.402488e-01 -4.178217e-06 1.125204e-01 5.056924e-02 4.504488e-03 4.395821e-02 2.191857e-01 5.342223e-02 -1.880712e-03 -9.610615e-02 -8.463921e-02 6.595012e-02 5.376674e-02 -2.048797e-02 1.508953e-02 1.402830e-02 -9.157563e-02 -5.734650e-02 4.596563e-02 -1.581259e-01 -8.021398e-02 -1.040343e-01 9.398132e-02 -2.321151e-02 -8.195336e-02 1.095167e-01 6.656239e-02 5.897606e-02 1.621737e-01 -4.050551e-02 4.409776e-02 1.405605e-02 4.984492e-02 -7.757061e-03 9.171463e-02 -7.161241e-02 -3.144469e-02 -2.968696e-02 -5.000231e-02 2.925101e-02 6.774991e-02 1.147150e-01 1.428625e-01 -2.728329e-01 2.471397e-02 2.596853e-02 -8.786101e-02 3.070415e-02 1.695845e-02 -1.376490e-02 1.236461e-01 -3.596699e-02 -3.585418e-02 9.436855e-02 -9.722639e-02 2.448603e-02 -1.148230e-02 3.789258e-02 -2.410814e-01 1.620734e-01 -1.261062e-01 -7.585048e-02 -1.843123e-01 1.978431e-01 -7.969498e-02 8.008236e-02 -6.568498e-02 1.680160e-01 1.263467e-01 -4.464594e-03 -4.137364e-01 1.824324e-01 4.864602e-02 8.591033e-03 -6.815653e-02 2.159277e-01
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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79 1.333468e-01 -4.509024e-02 -1.968198e-02 -1.288834e-02 -1.296268e-01 -1.692559e-01 -1.501877e-01 -3.933393e-02 -1.291762e-01 1.450222e-01 -1.168019e-01 1.588909e-01 2.453556e-02 3.090959e-02 1.370157e-01 1.526829e-01 7.085139e-02 -9.301672e-02 -2.453212e-03 1.080460e-01 5.169445e-02 -3.198104e-02 1.279138e-01 1.551432e-01 -2.145082e-04 1.192961e-01 1.337445e-01 -5.080363e-03 -1.922056e-02 4.233870e-02 1.401439e-02 8.420357e-02 -1.614094e-01 -2.478677e-02 1.348313e-01 -6.164289e-02 6.796556e-02 -4.387053e-03 1.689869e-01 1.102755e-01 1.596340e-01 -1.021485e-01 4.038867e-02 9.724871e-02 5.461415e-04 4.748686e-02 6.758284e-02 4.277818e-02 -8.927845e-02 -4.192498e-02 1.079868e-02 8.638314e-02 2.404662e-01 -9.929519e-02 -2.360987e-02 2.308389e-01 -2.915226e-01 -1.774500e-01 3.825819e-02 -1.460086e-01 -1.854008e-02 1.228371e-01 -5.618451e-02 1.663253e-01 -1.057406e-02 1.569853e-01 -1.756822e-01 2.192888e-02 1.338004e-01 5.724192e-02 -6.582558e-02 -5.845502e-02 -1.021873e-01 -8.534968e-02 3.858653e-02 2.040147e-01 -2.154904e-02 3.494426e-02 2.082306e-02 -4.155924e-02 -1.832548e-01 -1.139038e-01 -8.999965e-02 1.924567e-02 -3.086996e-03
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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80 1.214556e-01 -6.169510e-02 1.367089e-02 -2.725049e-02 -1.828836e-01 -2.495173e-01 -1.496432e-01 3.504273e-03 -1.138669e-01 5.347984e-02 -8.835353e-02 6.010560e-02 -4.765190e-02 -7.589894e-02 1.740465e-01 5.269745e-02 -9.013343e-03 -7.723551e-02 7.224799e-02 1.924819e-01 -1.013548e-01 2.445526e-02 9.075716e-02 1.585624e-01 -3.336008e-03 2.999342e-01 5.995047e-02 -1.068139e-01 2.504522e-01 -1.514415e-02 -2.604047e-02 -1.534056e-03 -7.603038e-02 9.036145e-02 -1.384939e-01 -2.602914e-02 -1.506690e-01 -6.087934e-02 7.152628e-02 -1.688864e-02 -1.259868e-01 1.258706e-01 -4.321195e-02 1.511759e-01 3.264938e-02 -1.245472e-02 -1.518461e-01 2.766670e-02 7.335091e-02 -1.061799e-02 -1.662144e-01 -2.177573e-01 8.431963e-02 4.657309e-02 -1.401105e-01 -1.262541e-01 1.691318e-01 1.483169e-01 -8.528416e-02 7.415399e-03 -8.644505e-02 1.143538e-01 6.853899e-02 -5.688781e-02 -3.612827e-02 -1.569164e-01 4.654864e-02 -1.271486e-01 -5.885126e-02 -5.625329e-02 -8.060303e-02 1.056490e-01 8.481375e-03 8.451053e-02 -7.441971e-02 -2.048237e-01 -2.533325e-02 -1.140262e-01 -1.258725e-01 -7.734118e-03 1.170241e-01 -4.225510e-03 -5.432042e-02 -4.886830e-02 4.616280e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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81 1.323149e-01 -2.338945e-02 6.905491e-02 -6.460064e-02 -1.940615e-01 -1.606938e-01 -8.827602e-02 2.547470e-02 -5.740255e-03 -1.579132e-03 -1.123102e-01 -8.946150e-02 -5.964635e-02 -1.088986e-01 9.165057e-02 1.018542e-01 -9.677262e-02 -5.861789e-02 1.164285e-01 9.313880e-02 -2.415579e-01 1.333435e-01 -2.722475e-02 1.281199e-02 -6.978260e-02 -1.832346e-02 3.197659e-02 -1.171332e-01 2.638132e-01 -1.222313e-01 -7.892775e-03 -8.871464e-02 1.586339e-01 2.188731e-01 -1.276054e-01 4.002802e-02 9.155899e-03 -1.563182e-01 -1.585382e-01 9.270036e-03 8.909971e-02 -8.531350e-02 8.251254e-02 -1.237593e-01 -2.574871e-01 -2.280046e-03 2.536162e-01 -2.960308e-02 -7.175909e-02 1.076663e-01 1.382144e-04 8.301686e-02 -2.182093e-01 1.003751e-01 1.875053e-01 3.938869e-02 -4.632456e-02 -5.726886e-02 8.160695e-02 1.412953e-01 -2.621741e-02 -2.141690e-01 -3.891410e-02 -7.371625e-03 5.031723e-02 1.185530e-01 -2.188130e-03 1.504308e-02 -3.462616e-02 3.277905e-02 1.482077e-01 4.457724e-03 4.525314e-02 1.182281e-03 1.297293e-01 9.984104e-02 9.685565e-02 4.783963e-02 2.838034e-02 4.145490e-02 -7.632791e-02 -2.477942e-02 1.164782e-01 2.541422e-02 -9.609226e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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82 1.308753e-01 1.247774e-02 9.660421e-02 -1.395001e-02 -1.570292e-01 -1.219094e-01 -1.458740e-02 -3.479196e-02 7.382525e-02 -1.283263e-01 -7.252084e-02 -2.455118e-01 -5.870258e-02 -1.001271e-01 -1.645756e-01 4.558864e-02 -7.142952e-02 -8.496133e-02 2.656153e-01 4.374868e-02 -1.154412e-01 1.798617e-01 -1.290509e-01 1.165086e-01 5.824895e-02 -2.964194e-01 5.123995e-02 2.064826e-01 -1.784280e-01 2.287799e-03 9.038682e-03 2.565633e-03 -1.369316e-01 -6.130358e-02 2.344402e-01 5.759249e-02 -2.285323e-02 -7.996206e-02 1.044071e-01 1.548722e-01 -2.704882e-01 -4.264619e-02 -9.123246e-02 1.716073e-02 1.513015e-02 4.113894e-02 -4.106591e-02 5.470369e-02 -1.256465e-01 -1.676354e-02 -3.763418e-04 -1.168919e-01 2.905875e-02 -1.043763e-01 -7.364686e-02 9.494659e-02 7.234146e-02 1.559915e-01 4.992704e-02 9.833134e-03 6.487014e-02 -4.589378e-03 2.977176e-02 5.211005e-02 2.275457e-01 2.034452e-01 3.751606e-03 -1.181231e-01 3.415347e-02 -5.861297e-02 -7.993837e-03 -1.859078e-02 -8.691078e-02 8.283887e-02 -8.875165e-02 -7.452701e-02 -5.569923e-02 -3.903874e-02 8.978223e-02 1.678477e-02 -1.201716e-02 9.961965e-02 2.084739e-02 6.104894e-04 -2.943117e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
chemteam
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83 1.413759e-01 1.105802e-02 8.145434e-02 4.351681e-03 -1.378487e-01 -9.068386e-02 -1.319068e-02 -5.177138e-02 3.210739e-02 -1.756753e-02 -6.180019e-02 -2.022637e-01 3.236815e-02 -6.127862e-02 -1.190283e-01 -1.353489e-01 -2.093978e-02 -1.698319e-01 9.418486e-02 7.913107e-02 -7.939663e-02 5.777778e-02 7.996202e-02 2.024098e-02 -4.471623e-02 -1.707593e-01 -1.031522e-02 5.248872e-03 -2.894391e-01 -3.040358e-02 2.440298e-02 2.085374e-02 2.507746e-03 3.383918e-02 -7.412054e-02 1.317256e-01 5.887327e-02 -1.953736e-01 -1.721222e-01 -1.868047e-02 9.242098e-02 9.351863e-02 -1.250407e-01 5.790543e-03 1.602738e-01 -5.845095e-02 5.593290e-02 1.057586e-01 4.475442e-03 -2.764714e-02 -1.752005e-01 2.003425e-01 -2.097939e-02 2.014972e-01 -6.670063e-02 -1.140136e-01 -7.073397e-02 -2.066302e-01 -5.594125e-03 -1.487812e-01 6.104468e-03 1.924089e-01 -5.611643e-02 -1.602212e-01 -2.266624e-01 -2.477790e-01 1.728178e-02 1.556285e-01 2.992558e-02 4.192788e-02 -7.588401e-02 -5.091192e-02 1.363638e-01 -1.893920e-01 -6.776569e-02 1.850996e-02 -2.256868e-02 1.188582e-02 -4.190542e-02 4.960812e-02 3.676711e-02 -1.044443e-01 -1.203327e-01 -8.636921e-03 6.861256e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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84 1.337114e-01 4.999124e-02 6.319868e-02 4.420932e-02 -7.829132e-02 -8.613652e-02 -1.718281e-02 -1.233161e-01 3.084973e-02 1.031132e-01 6.968205e-03 -1.265371e-01 1.212348e-01 1.127972e-02 -1.842392e-01 -1.886510e-01 1.556085e-01 -2.400187e-01 -5.711073e-02 8.582710e-02 1.016709e-01 -2.152977e-01 2.140678e-01 -8.342110e-02 -6.847586e-02 2.213928e-01 -8.874665e-02 -2.875826e-02 -1.237067e-01 1.746816e-01 1.251223e-01 1.634851e-01 3.693143e-02 5.727312e-02 -1.506430e-01 2.112026e-01 3.818429e-02 1.890279e-01 -8.722707e-02 3.056300e-02 1.211715e-01 1.844755e-01 6.695675e-02 -1.428490e-01 2.693431e-02 -4.615544e-02 9.605452e-02 5.480406e-02 -7.766382e-02 7.765758e-02 -3.606156e-02 5.356640e-02 -6.653977e-02 -1.398146e-01 -1.895246e-01 3.796306e-02 -2.295121e-02 1.994839e-01 5.474340e-02 1.867846e-01 5.376933e-02 -2.490301e-02 -9.660976e-02 4.562129e-02 9.295281e-02 1.694736e-01 8.365359e-02 -6.991199e-02 -4.277711e-02 -2.288944e-02 5.603574e-02 5.354768e-02 -1.172499e-01 1.221885e-01 -1.513524e-02 -1.710292e-02 3.855996e-02 -1.135776e-02 5.307894e-02 -4.158981e-02 -6.650479e-03 5.118034e-02 5.428047e-02 1.653087e-02 -6.456716e-02
4f3222cb5cf6 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 79589d149a8ff2791d4f71d28b155011672db827"
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