REMARK Name = BDB026176 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.311 -0.218 -1.107 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.873 -1.537 -0.927 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.710 -2.566 -1.128 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.437 -1.832 -0.555 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.358 -0.802 -0.351 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.934 0.536 -0.529 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.386 0.819 -0.895 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.696 -1.040 0.033 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.821 -1.576 1.401 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.316 -1.828 1.728 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.440 -2.288 3.184 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.965 -2.830 0.841 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.396 -2.550 0.700 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.316 -2.952 -0.488 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.451 -4.220 -0.486 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.523 -1.713 -0.994 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.113 -0.347 -0.029 0.00 0.00 +0.403 C ATOM 18 N LIG 1 5.119 -0.051 -0.946 0.00 0.00 -0.263 N ATOM 19 C LIG 1 3.802 -0.636 -0.712 0.00 0.00 +0.146 C ATOM 20 C LIG 1 2.715 0.092 -1.476 0.00 0.00 -0.024 C ATOM 21 C LIG 1 2.977 0.997 -2.441 0.00 0.00 -0.020 C ATOM 22 C LIG 1 4.377 1.360 -2.836 0.00 0.00 +0.046 C ATOM 23 C LIG 1 5.416 0.370 -2.312 0.00 0.00 +0.115 C ATOM 24 O LIG 1 5.914 -0.930 1.031 0.00 0.00 -0.226 OA BRANCH 17 25 ATOM 25 O LIG 1 7.341 0.080 -0.434 0.00 0.00 -0.448 OA BRANCH 25 27 ATOM 26 C LIG 1 8.962 -1.592 0.231 0.00 0.00 +0.052 C ATOM 27 C LIG 1 8.438 -0.179 0.461 0.00 0.00 +0.172 C ATOM 28 C LIG 1 9.517 0.853 0.154 0.00 0.00 +0.052 C ENDBRANCH 25 27 ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 29 ATOM 29 N LIG 1 -1.925 1.517 -0.307 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.811 1.096 -0.031 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.825 2.876 -0.462 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.855 3.512 -0.852 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.106 3.586 -0.172 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.755 3.618 1.135 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.901 4.313 1.283 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.504 5.037 0.137 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.554 5.653 0.258 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.809 4.964 -1.044 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.207 5.476 -1.824 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.637 4.267 -1.201 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.114 2.909 2.287 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.697 3.222 3.474 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.227 1.563 2.155 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.798 3.198 2.416 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 7