REMARK Name = BDB057670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.868 -0.369 1.834 0.00 0.00 -0.221 N ATOM 2 C LIG 1 -0.322 0.115 1.350 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -0.443 1.216 0.822 0.00 0.00 -0.274 OA ATOM 4 C LIG 1 -1.461 -0.873 1.521 0.00 0.00 +0.146 C ATOM 5 S LIG 1 -0.746 -2.250 2.481 0.00 0.00 -0.054 S ATOM 6 C LIG 1 0.875 -1.615 2.383 0.00 0.00 +0.282 C ATOM 7 O LIG 1 1.851 -2.234 2.772 0.00 0.00 -0.262 OA ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.111 0.348 1.615 0.00 0.00 +0.237 C BRANCH 8 9 ATOM 9 C LIG 1 2.670 -0.049 0.257 0.00 0.00 +0.325 C ATOM 10 O LIG 1 2.113 -0.787 -0.547 0.00 0.00 -0.249 OA BRANCH 9 11 ATOM 11 O LIG 1 3.880 0.549 0.066 0.00 0.00 -0.464 OA BRANCH 11 13 ATOM 12 C LIG 1 5.824 0.968 -1.258 0.00 0.00 +0.048 C ATOM 13 C LIG 1 4.496 0.240 -1.191 0.00 0.00 +0.229 C ENDBRANCH 11 13 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 1 8 BRANCH 4 14 ATOM 14 C LIG 1 -1.964 -1.388 0.169 0.00 0.00 +0.059 C BRANCH 14 15 ATOM 15 C LIG 1 -3.008 -0.481 -0.445 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -2.647 0.481 -1.400 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -3.613 1.322 -1.953 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -4.938 1.202 -1.553 0.00 0.00 +0.123 A ATOM 19 F LIG 1 -5.864 2.010 -2.085 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -5.316 0.257 -0.608 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -4.352 -0.585 -0.052 0.00 0.00 +0.006 A ENDBRANCH 14 15 ENDBRANCH 4 14 TORSDOF 6