REMARK Name = BDB032854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.733 0.187 -1.346 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.041 0.085 -0.139 0.00 0.00 +0.070 A ATOM 3 C LIG 1 0.359 -0.007 -0.136 0.00 0.00 +0.145 A ATOM 4 C LIG 1 1.095 0.053 -1.325 0.00 0.00 +0.079 A ATOM 5 C LIG 1 0.394 0.135 -2.534 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.005 0.198 -2.543 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.051 0.346 -0.405 0.00 0.00 +0.217 C ATOM 8 N LIG 1 -3.137 0.268 -1.445 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -3.517 0.288 -2.383 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.785 0.415 0.789 0.00 0.00 -0.275 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.482 0.378 -0.927 0.00 0.00 +0.096 C BRANCH 11 13 ATOM 12 C LIG 1 -6.655 -1.107 0.763 0.00 0.00 +0.004 C ATOM 13 C LIG 1 -6.541 0.291 0.171 0.00 0.00 +0.006 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 4 14 ATOM 14 C LIG 1 2.587 0.036 -1.388 0.00 0.00 +0.253 C ATOM 15 N LIG 1 3.225 0.572 -0.293 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.690 0.963 0.469 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 3.119 -0.398 -2.402 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.585 0.633 -0.188 0.00 0.00 +0.167 A ATOM 19 S LIG 1 5.132 1.356 1.263 0.00 0.00 -0.028 S ATOM 20 C LIG 1 6.733 1.103 0.744 0.00 0.00 +0.185 A ATOM 21 C LIG 1 6.758 0.489 -0.485 0.00 0.00 +0.153 A ATOM 22 N LIG 1 5.510 0.219 -1.017 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 7.854 1.499 1.533 0.00 0.00 +0.065 N ATOM 24 O LIG 1 7.636 2.025 2.632 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 8.972 1.281 1.049 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 4 14 BRANCH 3 26 ATOM 26 O LIG 1 0.990 -0.131 1.108 0.00 0.00 -0.425 OA BRANCH 26 27 ATOM 27 C LIG 1 1.050 -1.456 1.540 0.00 0.00 +0.309 C ATOM 28 O LIG 1 0.671 -2.442 0.924 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 1.690 -1.493 2.895 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 8