REMARK Name = BDB038933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.563 -1.442 0.889 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.281 -1.961 0.855 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.196 -1.038 0.545 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.812 -1.586 0.784 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.599 -2.917 1.211 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.302 -3.397 1.443 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.177 -2.595 1.234 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.398 -1.286 0.790 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.447 -0.236 0.472 0.00 0.00 -0.309 N ATOM 10 C LIG 1 0.344 0.844 0.134 0.00 0.00 +0.199 A ATOM 11 N LIG 1 1.616 0.522 0.149 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 3.784 -3.812 1.478 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.675 -0.780 0.571 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.009 -3.382 0.675 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.820 -0.245 0.823 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -0.178 2.057 -0.198 0.00 0.00 -0.301 N ATOM 17 C LIG 1 0.462 2.666 -1.380 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -0.121 4.048 -1.639 0.00 0.00 +0.033 C ATOM 19 C LIG 1 0.154 4.996 -0.465 0.00 0.00 +0.101 C ATOM 20 C LIG 1 0.465 4.237 0.833 0.00 0.00 +0.033 C ATOM 21 C LIG 1 -0.379 2.971 0.948 0.00 0.00 +0.109 C BRANCH 19 22 ATOM 22 C LIG 1 -1.029 5.918 -0.279 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -1.847 5.895 0.625 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.123 6.833 -1.263 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -1.916 7.359 -1.029 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.853 -1.906 1.051 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.517 -2.407 1.005 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.909 -0.328 0.457 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.508 0.196 1.765 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.556 0.300 -0.797 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.957 -0.206 -1.060 0.00 0.00 -0.039 A ATOM 32 C LIG 1 -4.162 -1.478 -1.618 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -5.452 -1.968 -1.858 0.00 0.00 +0.123 A ATOM 34 C LIG 1 -6.552 -1.177 -1.538 0.00 0.00 +0.084 A ATOM 35 C LIG 1 -6.350 0.085 -0.988 0.00 0.00 +0.127 A ATOM 36 F LIG 1 -7.412 0.843 -0.681 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.072 0.577 -0.746 0.00 0.00 +0.042 A BRANCH 33 38 ATOM 38 O LIG 1 -5.494 -3.223 -2.399 0.00 0.00 -0.495 OA ATOM 39 C LIG 1 -6.781 -3.757 -2.687 0.00 0.00 +0.277 C ENDBRANCH 33 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8