REMARK Name = BDB061237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.988 -2.345 1.090 0.00 0.00 +0.067 A ATOM 2 C LIG 1 2.281 -1.901 1.443 0.00 0.00 +0.154 A ATOM 3 C LIG 1 2.968 -2.478 2.513 0.00 0.00 +0.106 A ATOM 4 C LIG 1 4.306 -1.972 2.844 0.00 0.00 +0.197 A ATOM 5 C LIG 1 4.836 -0.876 2.024 0.00 0.00 +0.098 A ATOM 6 C LIG 1 4.089 -0.404 1.018 0.00 0.00 +0.139 A ATOM 7 O LIG 1 4.953 -2.450 3.770 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 2.382 -3.510 3.250 0.00 0.00 +0.135 A ATOM 9 C LIG 1 1.111 -3.966 2.925 0.00 0.00 +0.092 A ATOM 10 O LIG 1 2.826 -0.873 0.704 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.424 -3.386 1.857 0.00 0.00 +0.132 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -1.627 -0.402 -0.877 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -0.928 -1.007 0.181 0.00 0.00 +0.020 A ATOM 14 C LIG 1 0.256 -1.735 -0.038 0.00 0.00 -0.010 A ATOM 15 C LIG 1 0.727 -1.857 -1.354 0.00 0.00 +0.009 A ATOM 16 C LIG 1 0.039 -1.272 -2.417 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.131 -0.551 -2.179 0.00 0.00 +0.011 A BRANCH 12 26 ATOM 18 O LIG 1 -4.421 2.747 1.460 0.00 0.00 -0.287 OA ATOM 19 C LIG 1 -4.256 1.949 0.543 0.00 0.00 +0.197 A ATOM 20 C LIG 1 -5.318 1.684 -0.433 0.00 0.00 +0.105 A ATOM 21 C LIG 1 -5.065 0.769 -1.451 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -6.049 0.490 -2.399 0.00 0.00 +0.092 A ATOM 23 C LIG 1 -7.281 1.134 -2.317 0.00 0.00 +0.124 A ATOM 24 C LIG 1 -7.547 2.051 -1.304 0.00 0.00 +0.091 A ATOM 25 O LIG 1 -3.869 0.108 -1.579 0.00 0.00 -0.454 OA ATOM 26 C LIG 1 -2.873 0.355 -0.646 0.00 0.00 +0.139 A ATOM 27 C LIG 1 -6.560 2.325 -0.360 0.00 0.00 +0.135 A ATOM 28 C LIG 1 -2.992 1.219 0.373 0.00 0.00 +0.098 A BRANCH 23 29 ATOM 29 O LIG 1 -8.216 0.834 -3.264 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -9.022 1.347 -3.082 0.00 0.00 +0.292 HD ENDBRANCH 23 29 BRANCH 27 31 ATOM 31 O LIG 1 -6.873 3.235 0.614 0.00 0.00 -0.506 OA ATOM 32 H LIG 1 -6.092 3.332 1.205 0.00 0.00 +0.292 HD ENDBRANCH 27 31 ENDBRANCH 12 26 ENDBRANCH 1 14 BRANCH 6 33 ATOM 33 C LIG 1 4.548 0.703 0.153 0.00 0.00 +0.021 A ATOM 34 C LIG 1 3.631 1.674 -0.283 0.00 0.00 +0.060 A ATOM 35 C LIG 1 4.051 2.706 -1.113 0.00 0.00 +0.159 A ATOM 36 C LIG 1 5.382 2.806 -1.501 0.00 0.00 +0.158 A ATOM 37 C LIG 1 6.301 1.845 -1.109 0.00 0.00 +0.050 A ATOM 38 C LIG 1 5.883 0.793 -0.285 0.00 0.00 +0.015 A BRANCH 35 39 ATOM 39 O LIG 1 3.130 3.605 -1.567 0.00 0.00 -0.503 OA ATOM 40 H LIG 1 3.361 3.782 -2.498 0.00 0.00 +0.292 HD ENDBRANCH 35 39 BRANCH 36 41 ATOM 41 O LIG 1 5.811 3.862 -2.250 0.00 0.00 -0.503 OA ATOM 42 H LIG 1 5.294 4.633 -1.951 0.00 0.00 +0.292 HD ENDBRANCH 36 41 ENDBRANCH 6 33 BRANCH 8 43 ATOM 43 O LIG 1 3.000 -4.118 4.309 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 3.884 -3.702 4.432 0.00 0.00 +0.292 HD ENDBRANCH 8 43 BRANCH 11 45 ATOM 45 O LIG 1 -0.828 -3.845 1.543 0.00 0.00 -0.506 OA ATOM 46 H LIG 1 -1.053 -4.593 2.121 0.00 0.00 +0.292 HD ENDBRANCH 11 45 TORSDOF 9