REMARK Name = BDB033461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.145 0.768 -0.462 0.00 0.00 +0.080 A ATOM 2 C LIG 1 -2.040 0.309 -1.234 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.264 -0.513 -0.405 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -0.087 -1.133 -0.857 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.281 -0.936 -2.195 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -0.464 -0.114 -3.036 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -1.888 -0.532 0.826 0.00 0.00 -0.358 N ATOM 8 H LIG 1 -1.503 -0.987 1.650 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 -1.617 0.507 -2.562 0.00 0.00 +0.134 A ATOM 10 F LIG 1 -2.324 1.286 -3.392 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -3.023 0.235 0.802 0.00 0.00 +0.102 A ENDROOT BRANCH 1 13 ATOM 12 N LIG 1 -5.069 2.332 -1.213 0.00 0.00 -0.191 NA ATOM 13 C LIG 1 -4.201 1.632 -0.889 0.00 0.00 +0.101 C ENDBRANCH 1 13 BRANCH 4 14 ATOM 14 N LIG 1 0.676 -2.076 -0.108 0.00 0.00 -0.212 N ATOM 15 H LIG 1 0.210 -2.973 0.027 0.00 0.00 +0.174 HD BRANCH 14 16 ATOM 16 S LIG 1 1.399 -1.578 1.343 0.00 0.00 +0.096 S ATOM 17 O LIG 1 0.334 -1.154 2.235 0.00 0.00 -0.148 OA ATOM 18 O LIG 1 2.289 -2.652 1.736 0.00 0.00 -0.148 OA BRANCH 16 19 ATOM 19 C LIG 1 2.429 -0.157 1.060 0.00 0.00 +0.236 A ATOM 20 S LIG 1 3.183 0.547 2.425 0.00 0.00 -0.055 S ATOM 21 C LIG 1 3.897 1.722 1.397 0.00 0.00 +0.068 A ATOM 22 C LIG 1 3.512 1.495 0.092 0.00 0.00 +0.120 A ATOM 23 N LIG 1 2.671 0.417 -0.106 0.00 0.00 -0.229 NA ENDBRANCH 16 19 ENDBRANCH 14 16 ENDBRANCH 4 14 TORSDOF 4