REMARK Name = BDB002155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 1.587 -2.299 -0.719 0.00 0.00 -0.027 S ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.593 -0.656 -1.385 0.00 0.00 +0.120 C ATOM 3 S LIG 1 1.483 -0.456 -3.057 0.00 0.00 -0.027 S BRANCH 2 5 ATOM 4 C LIG 1 1.494 1.788 -0.840 0.00 0.00 +0.130 C ATOM 5 N LIG 1 1.702 0.394 -0.456 0.00 0.00 -0.325 N ATOM 6 C LIG 1 2.139 0.222 0.930 0.00 0.00 +0.130 C ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 7 ATOM 7 S LIG 1 -0.427 -2.754 -0.747 0.00 0.00 -0.027 S BRANCH 7 8 ATOM 8 C LIG 1 -1.021 -1.833 0.647 0.00 0.00 +0.120 C ATOM 9 S LIG 1 -0.810 -2.473 2.194 0.00 0.00 -0.027 S BRANCH 8 10 ATOM 10 N LIG 1 -1.653 -0.610 0.363 0.00 0.00 -0.325 N ATOM 11 C LIG 1 -2.139 -0.223 -0.962 0.00 0.00 +0.130 C ATOM 12 C LIG 1 -1.985 0.349 1.415 0.00 0.00 +0.130 C ENDBRANCH 8 10 ENDBRANCH 7 8 ENDBRANCH 1 7 TORSDOF 5