LIGPARGEN GENERATED GRO FILE 42 1SDS C00 1 0.100 0.100 0.000 1SDS C01 2 -0.052 0.100 0.000 1SDS C02 3 -0.107 0.100 0.142 1SDS C03 4 -0.260 0.100 0.143 1SDS C04 5 -0.314 0.100 0.286 1SDS C05 6 -0.467 0.100 0.287 1SDS C06 7 -0.520 0.100 0.430 1SDS C07 8 -0.673 0.100 0.430 1SDS C08 9 -0.729 0.100 0.573 1SDS C09 10 -0.881 0.099 0.570 1SDS C0A 11 -0.941 0.099 0.711 1SDS C0B 12 -1.094 0.099 0.706 1SDS O0C 13 -1.138 -0.018 0.641 1SDS S0D 14 -1.298 -0.035 0.617 1SDS O0E 15 -1.353 -0.037 0.752 1SDS O0F 16 -1.334 0.083 0.538 1SDS O0G 17 -1.308 -0.162 0.545 1SDS H0H 18 0.138 0.100 -0.103 1SDS H0I 19 0.139 0.011 0.051 1SDS H0J 20 0.139 0.189 0.051 1SDS H0K 21 -0.088 0.012 -0.054 1SDS H0M 22 -0.088 0.188 -0.054 1SDS H0N 23 -0.070 0.188 0.196 1SDS H0O 24 -0.070 0.012 0.196 1SDS H0P 25 -0.297 0.012 0.089 1SDS H0Q 26 -0.297 0.188 0.089 1SDS H0R 27 -0.277 0.188 0.339 1SDS H0S 28 -0.277 0.011 0.339 1SDS H0T 29 -0.504 0.011 0.233 1SDS H0U 30 -0.504 0.188 0.234 1SDS H0V 31 -0.483 0.188 0.483 1SDS H0W 32 -0.483 0.011 0.483 1SDS H0X 33 -0.710 0.011 0.377 1SDS H0Y 34 -0.710 0.188 0.376 1SDS H0Z 35 -0.693 0.188 0.627 1SDS H10 36 -0.692 0.011 0.627 1SDS H11 37 -0.916 0.011 0.515 1SDS H12 38 -0.917 0.187 0.515 1SDS H13 39 -0.906 0.187 0.766 1SDS H14 40 -0.906 0.010 0.764 1SDS H15 41 -1.129 0.188 0.653 1SDS H16 42 -1.133 0.101 0.809 1.00000 1.00000 1.00000