REMARK Name = LIG001520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.720 -0.403 -0.185 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -4.530 -0.116 -0.091 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -3.834 0.380 -1.163 0.00 0.00 -0.256 N ATOM 4 H LIG 1 -4.351 0.393 -2.032 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 -2.468 0.425 -1.297 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -1.956 0.505 -2.410 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -1.672 0.400 0.000 0.00 0.00 +0.086 C ATOM 8 C LIG 1 -2.311 -0.629 0.938 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -3.763 -0.256 1.200 0.00 0.00 +0.097 C ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.196 0.114 -0.310 0.00 0.00 +0.087 C BRANCH 10 11 ATOM 11 S LIG 1 0.858 0.264 1.179 0.00 0.00 -0.124 S BRANCH 11 12 ATOM 12 C LIG 1 2.475 0.125 0.438 0.00 0.00 +0.008 A ATOM 13 C LIG 1 3.422 1.123 0.689 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.701 1.041 0.134 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.044 -0.045 -0.669 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.111 -1.051 -0.912 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.832 -0.969 -0.357 0.00 0.00 +0.015 A ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 7 10 TORSDOF 3