REMARK Name = BDB007949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.856 0.180 0.446 0.00 0.00 -0.289 N ATOM 2 C LIG 1 0.451 0.165 -0.044 0.00 0.00 +0.230 C ATOM 3 O LIG 1 1.388 0.605 0.625 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -1.102 0.836 1.736 0.00 0.00 +0.143 C BRANCH 4 8 ATOM 5 C LIG 1 -3.102 4.643 1.246 0.00 0.00 +0.120 A ATOM 6 C LIG 1 -3.782 3.546 1.777 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.141 2.317 1.943 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -1.797 2.167 1.580 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -1.111 3.272 1.056 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.760 4.503 0.892 0.00 0.00 +0.046 A BRANCH 5 12 ATOM 11 C LIG 1 -3.220 6.914 0.555 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.853 5.778 1.126 0.00 0.00 -0.495 OA ENDBRANCH 5 12 ENDBRANCH 4 8 ENDBRANCH 1 4 BRANCH 2 13 ATOM 13 C LIG 1 0.665 -0.455 -1.441 0.00 0.00 +0.180 C BRANCH 13 14 ATOM 14 N LIG 1 2.068 -0.361 -1.889 0.00 0.00 -0.294 NA ATOM 15 C LIG 1 2.452 1.021 -2.224 0.00 0.00 +0.085 C ATOM 16 C LIG 1 3.517 1.129 -3.320 0.00 0.00 +0.027 C ATOM 17 C LIG 1 4.546 -0.006 -3.290 0.00 0.00 +0.063 C ATOM 18 C LIG 1 3.897 -1.388 -3.124 0.00 0.00 +0.027 C ATOM 19 C LIG 1 2.377 -1.310 -2.951 0.00 0.00 +0.085 C BRANCH 17 20 ATOM 20 C LIG 1 5.732 0.361 -2.394 0.00 0.00 +0.166 C ATOM 21 O LIG 1 6.519 1.245 -2.744 0.00 0.00 -0.292 OA BRANCH 20 22 ATOM 22 C LIG 1 6.018 -0.322 -1.105 0.00 0.00 +0.018 A ATOM 23 C LIG 1 7.343 -0.712 -0.860 0.00 0.00 +0.014 A ATOM 24 C LIG 1 7.688 -1.308 0.357 0.00 0.00 +0.039 A ATOM 25 C LIG 1 6.710 -1.502 1.324 0.00 0.00 +0.123 A ATOM 26 F LIG 1 7.036 -2.077 2.489 0.00 0.00 -0.205 F ATOM 27 C LIG 1 5.399 -1.103 1.102 0.00 0.00 +0.039 A ATOM 28 C LIG 1 5.050 -0.507 -0.112 0.00 0.00 +0.014 A ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 1 29 ATOM 29 C LIG 1 -2.033 -0.313 -0.283 0.00 0.00 +0.182 C BRANCH 29 30 ATOM 30 C LIG 1 -2.766 -1.403 0.490 0.00 0.00 +0.127 A ATOM 31 N LIG 1 -2.003 -2.461 0.908 0.00 0.00 -0.309 N ATOM 32 H LIG 1 -1.001 -2.471 0.773 0.00 0.00 +0.170 HD ATOM 33 C LIG 1 -2.530 -3.514 1.596 0.00 0.00 +0.257 A ATOM 34 O LIG 1 -1.847 -4.462 1.964 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -3.979 -3.435 1.843 0.00 0.00 +0.064 A ATOM 36 C LIG 1 -4.631 -4.548 2.597 0.00 0.00 +0.202 C ATOM 37 O LIG 1 -5.963 -4.205 3.016 0.00 0.00 -0.375 OA ATOM 38 C LIG 1 -6.721 -3.618 1.957 0.00 0.00 +0.166 C ATOM 39 C LIG 1 -6.124 -2.265 1.571 0.00 0.00 +0.084 C ATOM 40 C LIG 1 -4.634 -2.361 1.374 0.00 0.00 +0.056 A ATOM 41 N LIG 1 -4.042 -1.325 0.691 0.00 0.00 -0.237 NA ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 9