REMARK Name = BDB046365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.261 -0.428 -0.971 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.533 0.088 -1.304 0.00 0.00 -0.002 A ATOM 3 C LIG 1 -1.555 -0.874 -0.982 0.00 0.00 +0.124 A ATOM 4 C LIG 1 -1.950 -2.182 -0.679 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.302 -2.537 -0.691 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -4.271 -1.584 -0.987 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.890 -0.283 -1.313 0.00 0.00 +0.053 A BRANCH 2 8 ATOM 8 C LIG 1 -2.173 1.520 -1.641 0.00 0.00 +0.038 C BRANCH 8 10 ATOM 9 C LIG 1 -1.532 2.326 0.693 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -2.456 2.506 -0.503 0.00 0.00 +0.001 C ENDBRANCH 8 10 ENDBRANCH 2 8 BRANCH 6 11 ATOM 11 O LIG 1 -5.580 -2.006 -1.005 0.00 0.00 -0.456 OA BRANCH 11 12 ATOM 12 C LIG 1 -6.511 -1.204 -0.385 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -7.706 -0.976 -1.069 0.00 0.00 +0.050 A ATOM 14 C LIG 1 -8.703 -0.196 -0.482 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -8.503 0.335 0.788 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -7.323 0.095 1.488 0.00 0.00 +0.049 A ATOM 17 C LIG 1 -6.325 -0.686 0.901 0.00 0.00 +0.050 A BRANCH 15 18 ATOM 18 O LIG 1 -9.503 1.091 1.324 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -9.229 1.388 2.207 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 0.808 -1.370 -0.887 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 1.214 -1.621 0.566 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 1.736 -0.358 1.253 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 2.898 0.153 0.601 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 4.127 -0.337 0.943 0.00 0.00 +0.121 A ATOM 25 C LIG 1 5.195 0.261 0.264 0.00 0.00 +0.054 A ATOM 26 C LIG 1 6.524 -0.131 0.491 0.00 0.00 -0.003 A ATOM 27 C LIG 1 6.761 -1.148 1.426 0.00 0.00 +0.009 A ATOM 28 C LIG 1 5.702 -1.750 2.108 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.388 -1.347 1.867 0.00 0.00 +0.045 A BRANCH 26 30 ATOM 30 C LIG 1 7.622 0.507 -0.243 0.00 0.00 +0.084 A ATOM 31 C LIG 1 7.813 1.810 -0.511 0.00 0.00 +0.208 A ATOM 32 N LIG 1 8.937 2.078 -1.230 0.00 0.00 -0.287 N ATOM 33 H LIG 1 9.240 2.992 -1.525 0.00 0.00 +0.172 HD ATOM 34 C LIG 1 9.695 0.986 -1.575 0.00 0.00 +0.291 A ATOM 35 O LIG 1 10.733 0.997 -2.213 0.00 0.00 -0.260 OA ATOM 36 S LIG 1 8.911 -0.457 -0.929 0.00 0.00 -0.023 S BRANCH 31 37 ATOM 37 O LIG 1 7.017 2.843 -0.132 0.00 0.00 -0.493 OA ATOM 38 H LIG 1 7.431 3.665 -0.438 0.00 0.00 +0.294 HD ENDBRANCH 31 37 ENDBRANCH 26 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13