REMARK Name = BDB032907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.630 0.812 -0.008 0.00 0.00 +0.117 A ATOM 2 C LIG 1 -0.805 0.824 -1.140 0.00 0.00 +0.063 A ATOM 3 C LIG 1 -1.159 1.635 -2.232 0.00 0.00 +0.015 A ATOM 4 C LIG 1 -2.293 2.447 -2.180 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.090 2.453 -1.038 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.764 1.638 0.047 0.00 0.00 +0.029 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.437 0.021 -1.306 0.00 0.00 +0.252 C ATOM 8 N LIG 1 1.358 0.132 -0.290 0.00 0.00 -0.261 N ATOM 9 H LIG 1 1.170 0.663 0.555 0.00 0.00 +0.157 HD ATOM 10 O LIG 1 0.558 -0.603 -2.353 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 2.552 -0.534 -0.317 0.00 0.00 +0.167 A ATOM 12 S LIG 1 3.500 -0.312 1.090 0.00 0.00 -0.028 S ATOM 13 C LIG 1 4.681 -1.329 0.411 0.00 0.00 +0.185 A ATOM 14 C LIG 1 4.296 -1.767 -0.833 0.00 0.00 +0.153 A ATOM 15 N LIG 1 3.065 -1.296 -1.251 0.00 0.00 -0.231 NA BRANCH 13 16 ATOM 16 N LIG 1 5.892 -1.644 1.097 0.00 0.00 +0.065 N ATOM 17 O LIG 1 6.077 -1.146 2.215 0.00 0.00 -0.126 OA ATOM 18 O LIG 1 6.677 -2.399 0.509 0.00 0.00 -0.126 OA ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 7 BRANCH 1 19 ATOM 19 S LIG 1 -1.247 -0.255 1.345 0.00 0.00 +0.059 S ATOM 20 O LIG 1 -1.175 -1.610 0.857 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -0.135 0.381 2.023 0.00 0.00 -0.153 OA BRANCH 19 23 ATOM 22 C LIG 1 -3.664 -1.081 2.198 0.00 0.00 +0.127 C ATOM 23 N LIG 1 -2.553 -0.150 2.396 0.00 0.00 -0.193 NA ATOM 24 H LIG 1 -2.260 0.029 3.357 0.00 0.00 +0.148 HD ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 5