REMARK Name = BDB046264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.427 1.209 1.402 0.00 0.00 +0.018 A ATOM 2 C LIG 1 0.854 -0.073 1.395 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -0.412 -0.320 1.958 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.101 0.759 2.534 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -0.554 2.041 2.543 0.00 0.00 +0.047 A ATOM 6 C LIG 1 0.703 2.263 1.976 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 7 O LIG 1 7.404 2.577 -0.767 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 6.502 1.858 -1.191 0.00 0.00 +0.197 A ATOM 9 C LIG 1 5.195 1.716 -0.487 0.00 0.00 +0.105 A ATOM 10 C LIG 1 4.182 0.845 -1.061 0.00 0.00 +0.146 A ATOM 11 O LIG 1 2.965 0.721 -0.398 0.00 0.00 -0.454 OA ATOM 12 C LIG 1 2.749 1.428 0.785 0.00 0.00 +0.139 A ATOM 13 C LIG 1 3.689 2.227 1.322 0.00 0.00 +0.093 A ATOM 14 C LIG 1 4.419 0.181 -2.201 0.00 0.00 +0.092 A ATOM 15 C LIG 1 5.678 0.306 -2.893 0.00 0.00 +0.124 A ATOM 16 C LIG 1 4.958 2.381 0.657 0.00 0.00 +0.135 A ATOM 17 C LIG 1 6.674 1.084 -2.446 0.00 0.00 +0.097 A BRANCH 15 18 ATOM 18 O LIG 1 5.758 -0.440 -4.043 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 6.630 -0.305 -4.452 0.00 0.00 +0.292 HD ENDBRANCH 15 18 BRANCH 16 20 ATOM 20 O LIG 1 5.833 3.230 1.292 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 6.661 3.260 0.763 0.00 0.00 +0.292 HD ENDBRANCH 16 20 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 C LIG 1 -0.987 -1.678 1.912 0.00 0.00 +0.070 A ATOM 23 C LIG 1 -2.047 -1.984 1.033 0.00 0.00 +0.154 A ATOM 24 C LIG 1 -2.594 -3.267 0.996 0.00 0.00 +0.106 A ATOM 25 C LIG 1 -3.692 -3.535 0.061 0.00 0.00 +0.197 A ATOM 26 C LIG 1 -4.146 -2.424 -0.785 0.00 0.00 +0.098 A ATOM 27 C LIG 1 -3.549 -1.231 -0.661 0.00 0.00 +0.139 A ATOM 28 O LIG 1 -4.210 -4.645 -0.010 0.00 0.00 -0.287 OA ATOM 29 C LIG 1 -2.092 -4.269 1.831 0.00 0.00 +0.135 A ATOM 30 C LIG 1 -1.043 -3.995 2.702 0.00 0.00 +0.092 A ATOM 31 O LIG 1 -2.505 -0.977 0.212 0.00 0.00 -0.454 OA ATOM 32 C LIG 1 -0.498 -2.710 2.736 0.00 0.00 +0.132 A BRANCH 27 33 ATOM 33 C LIG 1 -3.942 -0.064 -1.480 0.00 0.00 +0.018 A ATOM 34 C LIG 1 -5.284 0.193 -1.808 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.635 1.311 -2.573 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -4.643 2.182 -3.008 0.00 0.00 +0.117 A ATOM 37 C LIG 1 -3.312 1.957 -2.687 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -2.963 0.840 -1.923 0.00 0.00 +0.015 A BRANCH 36 39 ATOM 39 O LIG 1 -4.940 3.283 -3.754 0.00 0.00 -0.507 OA ATOM 40 H LIG 1 -5.900 3.310 -3.902 0.00 0.00 +0.292 HD ENDBRANCH 36 39 ENDBRANCH 27 33 BRANCH 29 41 ATOM 41 O LIG 1 -2.580 -5.548 1.842 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 -3.312 -5.602 1.186 0.00 0.00 +0.292 HD ENDBRANCH 29 41 BRANCH 32 43 ATOM 43 O LIG 1 0.539 -2.447 3.593 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 0.704 -3.229 4.146 0.00 0.00 +0.292 HD ENDBRANCH 32 43 ENDBRANCH 3 22 BRANCH 4 45 ATOM 45 O LIG 1 -2.333 0.544 3.092 0.00 0.00 -0.506 OA ATOM 46 H LIG 1 -2.672 1.386 3.436 0.00 0.00 +0.292 HD ENDBRANCH 4 45 TORSDOF 9