REMARK Name = BDB063024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.174 -1.889 -0.502 0.00 0.00 +0.056 A ATOM 2 N LIG 1 -1.538 -2.351 -1.727 0.00 0.00 -0.259 NA ATOM 3 C LIG 1 -0.558 -2.750 -2.565 0.00 0.00 +0.112 A ATOM 4 C LIG 1 0.785 -2.706 -2.247 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.148 -2.223 -0.990 0.00 0.00 +0.063 A ATOM 6 C LIG 1 0.155 -1.797 -0.104 0.00 0.00 +0.039 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.594 -2.162 -0.657 0.00 0.00 +0.345 C ATOM 8 O LIG 1 3.473 -2.332 -1.490 0.00 0.00 -0.245 OA BRANCH 7 9 ATOM 9 O LIG 1 2.747 -1.931 0.694 0.00 0.00 -0.419 OA BRANCH 9 10 ATOM 10 C LIG 1 4.079 -1.700 1.048 0.00 0.00 +0.174 A ATOM 11 C LIG 1 4.613 -0.410 0.953 0.00 0.00 +0.166 A ATOM 12 C LIG 1 5.924 -0.186 1.383 0.00 0.00 +0.095 A ATOM 13 C LIG 1 6.697 -1.248 1.866 0.00 0.00 +0.125 A ATOM 14 C LIG 1 6.139 -2.529 1.953 0.00 0.00 +0.049 A ATOM 15 C LIG 1 4.824 -2.761 1.554 0.00 0.00 +0.054 A BRANCH 11 16 ATOM 16 O LIG 1 3.772 0.576 0.508 0.00 0.00 -0.486 OA BRANCH 16 17 ATOM 17 C LIG 1 4.326 1.550 -0.388 0.00 0.00 +0.167 C ATOM 18 C LIG 1 4.532 0.951 -1.778 0.00 0.00 +0.051 C ATOM 19 C LIG 1 3.317 2.695 -0.457 0.00 0.00 +0.051 C ENDBRANCH 16 17 ENDBRANCH 11 16 BRANCH 13 20 ATOM 20 O LIG 1 7.985 -1.167 2.319 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 8.747 0.013 2.048 0.00 0.00 +0.167 C ATOM 22 C LIG 1 10.199 -0.429 1.883 0.00 0.00 +0.051 C ATOM 23 C LIG 1 8.626 0.983 3.219 0.00 0.00 +0.051 C ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 5 7 BRANCH 1 24 ATOM 24 C LIG 1 -2.281 -1.395 0.409 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 N LIG 1 -2.547 0.032 0.171 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.828 0.119 -0.805 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.625 0.535 1.038 0.00 0.00 +0.178 C BRANCH 27 29 ATOM 28 N LIG 1 -5.678 0.268 -0.413 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -4.983 -0.113 0.733 0.00 0.00 +0.229 C ATOM 30 O LIG 1 -5.421 -0.978 1.500 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 31 C LIG 1 -4.869 0.778 -2.704 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -5.273 1.327 -1.342 0.00 0.00 +0.104 C ENDBRANCH 28 32 BRANCH 28 33 ATOM 33 C LIG 1 -7.002 -0.335 -0.619 0.00 0.00 +0.123 C BRANCH 33 34 ATOM 34 C LIG 1 -8.117 0.309 0.240 0.00 0.00 +0.102 C BRANCH 34 35 ATOM 35 N LIG 1 -8.442 1.711 -0.111 0.00 0.00 -0.307 NA ATOM 36 C LIG 1 -9.162 1.794 -1.383 0.00 0.00 +0.104 C ATOM 37 C LIG 1 -9.250 2.314 0.953 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 15