REMARK Name = BDB015652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.613 0.934 -0.634 0.00 0.00 +0.241 A ATOM 2 N LIG 1 0.782 0.138 0.014 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -0.466 0.595 0.076 0.00 0.00 +0.170 A ATOM 4 N LIG 1 -0.861 1.781 -0.385 0.00 0.00 -0.175 NA ATOM 5 C LIG 1 0.096 2.507 -0.953 0.00 0.00 +0.323 A ATOM 6 N LIG 1 1.364 2.147 -1.085 0.00 0.00 -0.160 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.497 -0.260 0.723 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -1.244 -1.567 0.936 0.00 0.00 +0.100 A ATOM 9 N LIG 1 -2.166 -2.417 1.532 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -1.802 -3.815 1.711 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -3.421 -1.984 1.950 0.00 0.00 +0.251 A ATOM 12 O LIG 1 -4.274 -2.688 2.482 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -3.714 -0.548 1.712 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -2.802 0.244 1.135 0.00 0.00 +0.018 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 15 N LIG 1 2.972 0.610 -0.638 0.00 0.00 -0.188 N ATOM 16 H LIG 1 3.513 1.282 -1.177 0.00 0.00 +0.176 HD BRANCH 15 17 ATOM 17 S LIG 1 3.363 -0.962 -1.032 0.00 0.00 +0.045 S ATOM 18 O LIG 1 4.734 -0.901 -1.498 0.00 0.00 -0.155 OA ATOM 19 O LIG 1 2.327 -1.530 -1.866 0.00 0.00 -0.155 OA BRANCH 17 20 ATOM 20 C LIG 1 3.373 -1.756 0.576 0.00 0.00 +0.188 C BRANCH 20 22 ATOM 21 C LIG 1 2.980 -4.178 -0.105 0.00 0.00 +0.005 C ATOM 22 C LIG 1 3.926 -3.177 0.539 0.00 0.00 +0.021 C ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 O LIG 1 -0.187 3.767 -1.430 0.00 0.00 -0.460 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.574 4.118 -1.468 0.00 0.00 +0.171 C ATOM 25 C LIG 1 -1.742 5.120 -2.608 0.00 0.00 +0.052 C ATOM 26 C LIG 1 -1.986 4.760 -0.145 0.00 0.00 +0.052 C ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7