REMARK Name = BDB034141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.084 0.344 2.787 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.237 0.069 2.431 0.00 0.00 -0.297 N ATOM 3 C LIG 1 2.092 -0.599 3.406 0.00 0.00 +0.111 C ATOM 4 C LIG 1 3.554 -0.210 3.221 0.00 0.00 +0.063 C ATOM 5 C LIG 1 4.071 -0.468 1.793 0.00 0.00 +0.176 C ATOM 6 C LIG 1 2.924 -0.719 0.802 0.00 0.00 +0.063 C ATOM 7 C LIG 1 1.762 0.228 1.072 0.00 0.00 +0.111 C ATOM 8 O LIG 1 -0.597 -0.035 3.838 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -2.962 1.244 0.507 0.00 0.00 -0.002 A ATOM 10 C LIG 1 -2.549 2.515 0.059 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -1.341 3.071 0.496 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -0.537 2.381 1.403 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -0.926 1.115 1.843 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.134 0.558 1.414 0.00 0.00 +0.020 A BRANCH 9 18 ATOM 15 C LIG 1 -5.649 -2.101 0.386 0.00 0.00 -0.006 C ATOM 16 C LIG 1 -6.277 -0.728 0.724 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -5.221 0.277 1.171 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -4.260 0.612 0.016 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -4.007 -0.591 -0.915 0.00 0.00 +0.008 C ATOM 20 C LIG 1 -4.243 -1.946 -0.248 0.00 0.00 +0.004 C BRANCH 15 22 ATOM 21 C LIG 1 -6.826 -2.605 -1.862 0.00 0.00 +0.011 C ATOM 22 C LIG 1 -6.620 -3.055 -0.405 0.00 0.00 -0.035 C ATOM 23 C LIG 1 -6.059 -4.497 -0.415 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -8.003 -3.114 0.283 0.00 0.00 +0.011 C ENDBRANCH 15 22 ENDBRANCH 9 18 BRANCH 10 25 ATOM 25 O LIG 1 -3.333 3.150 -0.869 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.676 4.510 -0.556 0.00 0.00 +0.188 C ATOM 27 C LIG 1 -4.677 4.602 0.609 0.00 0.00 +0.125 C ATOM 28 N LIG 1 -5.944 5.096 0.048 0.00 0.00 -0.312 NA ATOM 29 H LIG 1 -6.735 4.640 0.501 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 -5.902 4.766 -1.374 0.00 0.00 +0.084 C ATOM 31 C LIG 1 -4.461 5.056 -1.745 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 10 25 ENDBRANCH 1 13 BRANCH 5 32 ATOM 32 O LIG 1 4.829 0.705 1.433 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 5.546 0.649 0.267 0.00 0.00 +0.140 A ATOM 34 C LIG 1 5.426 1.726 -0.618 0.00 0.00 +0.093 A ATOM 35 C LIG 1 6.160 1.721 -1.804 0.00 0.00 +0.024 A ATOM 36 C LIG 1 7.016 0.653 -2.091 0.00 0.00 +0.024 A ATOM 37 C LIG 1 7.177 -0.428 -1.207 0.00 0.00 +0.033 A ATOM 38 C LIG 1 6.428 -0.402 -0.020 0.00 0.00 +0.070 A BRANCH 37 39 ATOM 39 N LIG 1 8.055 -1.463 -1.540 0.00 0.00 -0.327 N ATOM 40 C LIG 1 9.436 -1.026 -1.863 0.00 0.00 +0.120 C ATOM 41 C LIG 1 10.452 -2.187 -1.759 0.00 0.00 +0.100 C ATOM 42 N LIG 1 10.467 -2.886 -0.460 0.00 0.00 -0.313 NA ATOM 43 H LIG 1 11.054 -2.370 0.196 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 9.110 -2.986 0.118 0.00 0.00 +0.100 C ATOM 45 C LIG 1 7.962 -2.788 -0.894 0.00 0.00 +0.120 C ENDBRANCH 37 39 BRANCH 34 46 ATOM 46 C LIG 1 4.540 2.819 -0.343 0.00 0.00 +0.103 C ATOM 47 N LIG 1 3.811 3.703 -0.150 0.00 0.00 -0.191 NA ENDBRANCH 34 46 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9