REMARK Name = BDB010030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.068 1.918 -1.827 0.00 0.00 +0.228 C ATOM 2 N LIG 1 0.011 0.891 -0.902 0.00 0.00 -0.269 N ATOM 3 C LIG 1 1.328 0.483 -0.482 0.00 0.00 +0.222 C ATOM 4 N LIG 1 1.313 -0.370 0.682 0.00 0.00 -0.269 N ATOM 5 C LIG 1 2.407 -0.517 1.538 0.00 0.00 +0.228 C ATOM 6 O LIG 1 2.472 -1.474 2.311 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 0.369 -1.462 0.656 0.00 0.00 +0.222 C ATOM 8 N LIG 1 -0.852 -1.133 -0.037 0.00 0.00 -0.269 N ATOM 9 C LIG 1 -1.779 -2.156 -0.205 0.00 0.00 +0.228 C ATOM 10 O LIG 1 -1.517 -3.301 0.167 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -1.105 0.272 -0.228 0.00 0.00 +0.222 C ATOM 12 O LIG 1 0.953 2.423 -2.306 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -1.433 2.431 -2.261 0.00 0.00 +0.164 C BRANCH 13 15 ATOM 14 C LIG 1 -1.037 4.839 -0.962 0.00 0.00 +0.085 C ATOM 15 S LIG 1 -2.203 3.451 -0.965 0.00 0.00 -0.155 S ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 5 16 ATOM 16 C LIG 1 3.489 0.562 1.461 0.00 0.00 +0.164 C BRANCH 16 17 ATOM 17 S LIG 1 4.771 0.434 2.745 0.00 0.00 -0.155 S ATOM 18 C LIG 1 5.611 -1.069 2.183 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 5 16 BRANCH 9 19 ATOM 19 C LIG 1 -3.107 -1.782 -0.862 0.00 0.00 +0.164 C BRANCH 19 20 ATOM 20 S LIG 1 -4.171 -3.198 -1.274 0.00 0.00 -0.155 S ATOM 21 C LIG 1 -4.641 -3.719 0.396 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 9 19 TORSDOF 6