REMARK Name = BDB026213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.532 -0.714 -0.285 0.00 0.00 +0.022 A ATOM 2 C LIG 1 1.030 -2.011 -0.482 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.873 -3.044 -0.635 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.337 -2.285 -0.512 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.261 -1.253 -0.342 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.783 0.062 -0.142 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.592 0.322 -0.117 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.661 -1.468 -0.351 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.186 -2.033 -1.618 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.906 -3.401 -1.426 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.436 -3.857 -2.792 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.003 -3.333 -0.425 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.474 -4.662 -0.030 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.629 -2.534 0.774 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.507 -1.276 0.794 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.123 -2.167 0.869 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.698 0.084 -0.194 0.00 0.00 +0.218 A ATOM 18 N LIG 1 5.220 -0.781 -1.103 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.889 -1.022 -1.110 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.976 -0.440 -0.253 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.571 0.432 0.636 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.895 0.704 0.685 0.00 0.00 -0.222 NA BRANCH 17 28 ATOM 23 C LIG 1 9.615 1.677 2.336 0.00 0.00 +0.039 C ATOM 24 C LIG 1 9.048 1.266 0.984 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.829 0.153 0.504 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 9.367 -0.248 -0.795 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.898 -0.692 -0.762 0.00 0.00 +0.136 C ATOM 28 N LIG 1 7.064 0.373 -0.187 0.00 0.00 -0.295 N ATOM 29 C LIG 1 7.556 0.887 1.102 0.00 0.00 +0.139 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.779 1.047 0.016 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.716 0.649 -0.045 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.621 2.394 0.217 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.575 3.024 0.284 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.925 3.105 0.318 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.792 3.031 1.483 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.953 3.711 1.473 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.362 4.531 0.301 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.438 5.118 0.335 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.462 4.562 -0.760 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.773 5.361 -1.936 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.267 3.860 -0.737 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.350 2.227 2.664 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.333 0.899 2.383 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.181 2.375 3.729 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.111 2.564 3.093 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6