REMARK Name = BDB031837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.558 0.733 2.646 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.877 -0.433 2.249 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.657 -0.302 1.576 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.068 0.923 1.296 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.150 0.607 0.611 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.286 -0.715 0.470 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.732 2.092 1.710 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.202 -1.230 1.061 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.101 -2.238 1.073 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.960 1.977 2.381 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.948 -0.851 -1.042 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.662 -0.108 0.113 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.207 -0.498 1.328 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.118 0.048 2.725 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.880 0.636 3.373 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.018 -0.860 3.530 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.513 -1.816 2.662 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.149 -2.542 2.956 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.247 -0.750 4.723 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.048 1.524 2.991 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.050 -1.618 1.360 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.358 -2.368 0.245 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.792 -1.974 -0.971 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.535 -1.123 -3.372 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.349 -0.374 -2.178 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.984 1.577 0.171 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.762 2.544 0.373 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.308 1.489 -0.329 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -3.869 2.643 -0.873 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.139 2.494 -1.378 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -5.821 1.333 -1.373 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.209 0.265 -0.840 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -3.980 0.323 -0.313 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -5.885 -0.931 -0.796 0.00 0.00 -0.297 N ATOM 35 C LIG 1 -5.096 -2.159 -0.675 0.00 0.00 +0.145 C ATOM 36 C LIG 1 -5.932 -3.217 -1.406 0.00 0.00 +0.185 C ATOM 37 F LIG 1 -5.467 -3.366 -2.679 0.00 0.00 -0.244 F ATOM 38 C LIG 1 -7.326 -2.619 -1.478 0.00 0.00 +0.057 C ATOM 39 C LIG 1 -7.030 -1.134 -1.663 0.00 0.00 +0.111 C ENDBRANCH 32 34 BRANCH 29 40 ATOM 40 O LIG 1 -3.127 3.792 -0.836 0.00 0.00 -0.490 OA ATOM 41 C LIG 1 -3.689 4.931 -1.479 0.00 0.00 +0.277 C ENDBRANCH 29 40 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6