REMARK Name = LIG000191 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.438 -0.600 1.161 0.00 0.00 +0.224 C ATOM 2 N LIG 1 -0.090 -0.717 1.013 0.00 0.00 -0.264 N ATOM 3 H LIG 1 0.297 -1.504 1.518 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 -1.967 -1.400 1.943 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.868 0.006 0.356 0.00 0.00 +0.165 A ATOM 6 S LIG 1 0.574 1.466 -0.465 0.00 0.00 -0.060 S ATOM 7 C LIG 1 2.232 1.577 -0.872 0.00 0.00 +0.080 A ATOM 8 C LIG 1 2.901 0.497 -0.340 0.00 0.00 +0.115 A ATOM 9 N LIG 1 2.118 -0.395 0.368 0.00 0.00 -0.221 NA BRANCH 8 10 ATOM 10 C LIG 1 4.434 0.294 -0.520 0.00 0.00 +0.153 A ATOM 11 O LIG 1 5.259 1.140 -1.206 0.00 0.00 -0.461 OA ATOM 12 C LIG 1 6.512 0.622 -1.136 0.00 0.00 +0.196 A ATOM 13 C LIG 1 6.510 -0.549 -0.415 0.00 0.00 +0.042 A ATOM 14 C LIG 1 5.168 -0.761 -0.017 0.00 0.00 +0.051 A ENDBRANCH 8 10 ENDBRANCH 2 5 BRANCH 1 15 ATOM 15 C LIG 1 -2.247 0.450 0.422 0.00 0.00 +0.152 C BRANCH 15 19 ATOM 16 C LIG 1 -5.731 -0.069 -0.362 0.00 0.00 +0.156 A ATOM 17 S LIG 1 -6.146 0.058 1.297 0.00 0.00 -0.061 S ATOM 18 C LIG 1 -4.497 0.306 1.681 0.00 0.00 +0.072 A ATOM 19 C LIG 1 -3.728 0.257 0.532 0.00 0.00 +0.059 A ATOM 20 N LIG 1 -4.456 0.052 -0.635 0.00 0.00 -0.230 NA BRANCH 16 21 ATOM 21 N LIG 1 -6.663 -0.296 -1.304 0.00 0.00 -0.338 N ATOM 22 H LIG 1 -6.294 -0.656 -2.177 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 -7.508 -0.764 -1.000 0.00 0.00 +0.144 HD ENDBRANCH 16 21 ENDBRANCH 15 19 ENDBRANCH 1 15 TORSDOF 5