REMARK Name = BDB033432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -0.017 3.720 1.414 0.00 0.00 +0.096 S ATOM 2 O LIG 1 1.100 3.208 2.182 0.00 0.00 -0.148 OA ATOM 3 O LIG 1 -0.250 5.148 1.326 0.00 0.00 -0.148 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.182 3.113 -0.253 0.00 0.00 +0.236 A ATOM 5 S LIG 1 -0.600 3.953 -1.517 0.00 0.00 -0.055 S ATOM 6 C LIG 1 -0.036 2.773 -2.623 0.00 0.00 +0.081 A ATOM 7 C LIG 1 0.687 1.785 -1.969 0.00 0.00 +0.135 A ATOM 8 N LIG 1 0.812 2.006 -0.597 0.00 0.00 -0.216 NA BRANCH 7 9 ATOM 9 C LIG 1 1.285 0.640 -2.688 0.00 0.00 +0.266 C ATOM 10 N LIG 1 1.812 -0.427 -1.960 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.504 -1.497 -2.679 0.00 0.00 +0.123 C ATOM 12 C LIG 1 3.628 -2.113 -1.827 0.00 0.00 +0.100 C ATOM 13 N LIG 1 3.206 -2.634 -0.513 0.00 0.00 -0.313 NA ATOM 14 H LIG 1 3.922 -2.393 0.172 0.00 0.00 +0.122 HD ATOM 15 C LIG 1 1.911 -2.085 -0.086 0.00 0.00 +0.100 C ATOM 16 C LIG 1 1.647 -0.631 -0.517 0.00 0.00 +0.123 C ATOM 17 O LIG 1 1.312 0.644 -3.920 0.00 0.00 -0.268 OA ENDBRANCH 7 9 ENDBRANCH 1 4 BRANCH 1 18 ATOM 18 N LIG 1 -1.454 3.049 2.077 0.00 0.00 -0.212 N ATOM 19 H LIG 1 -1.527 3.434 3.022 0.00 0.00 +0.174 HD BRANCH 18 27 ATOM 20 C LIG 1 -1.481 -2.729 1.946 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -1.515 -1.224 1.948 0.00 0.00 -0.040 A ATOM 22 C LIG 1 -2.218 -0.460 0.977 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -2.194 0.937 1.069 0.00 0.00 +0.071 A ATOM 24 N LIG 1 -2.963 1.434 0.039 0.00 0.00 -0.358 N ATOM 25 H LIG 1 -3.142 2.419 -0.109 0.00 0.00 +0.165 HD ATOM 26 C LIG 1 -3.445 0.412 -0.730 0.00 0.00 +0.102 A ATOM 27 C LIG 1 -1.503 1.618 2.076 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -0.810 0.864 3.020 0.00 0.00 +0.027 A ATOM 29 C LIG 1 -3.009 -0.772 -0.175 0.00 0.00 +0.077 A ATOM 30 C LIG 1 -0.820 -0.528 2.960 0.00 0.00 +0.006 A BRANCH 29 31 ATOM 31 C LIG 1 -3.322 -2.067 -0.695 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -3.574 -3.119 -1.114 0.00 0.00 -0.191 NA ENDBRANCH 29 31 ENDBRANCH 18 27 ENDBRANCH 1 18 TORSDOF 5