REMARK Name = BDB024937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.115 -0.984 2.046 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.647 -0.554 0.790 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.526 0.250 -0.094 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.679 -0.600 -0.659 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.818 0.908 -1.289 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.451 1.415 -0.889 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.655 0.235 -0.417 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.293 0.076 -0.748 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.497 0.877 -1.521 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.702 0.325 -1.532 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.705 -0.839 -0.784 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.572 -1.010 -0.271 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.160 -1.984 0.540 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.511 -1.815 0.874 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.267 -0.724 0.421 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.471 -1.605 2.885 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.807 -1.761 -0.532 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -3.026 -1.120 0.148 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -4.000 -2.191 0.668 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.061 -3.421 -0.263 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.638 -3.103 -1.695 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.195 -2.599 -1.763 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.799 -2.684 2.098 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.600 -3.438 2.636 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.685 -2.294 2.741 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.077 -1.671 2.309 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.918 -0.977 3.558 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.402 -0.589 2.283 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.864 0.914 -2.280 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.648 1.963 -1.514 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -4.036 2.053 -1.682 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -4.768 3.026 -1.002 0.00 0.00 +0.165 A ATOM 33 F LIG 1 -6.097 3.061 -1.179 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -4.147 3.947 -0.154 0.00 0.00 +0.155 A ATOM 35 C LIG 1 -2.762 3.882 -0.004 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -2.021 2.905 -0.684 0.00 0.00 +0.008 A BRANCH 34 37 ATOM 37 O LIG 1 -4.976 4.847 0.458 0.00 0.00 -0.492 OA ATOM 38 C LIG 1 -4.372 5.807 1.314 0.00 0.00 +0.277 C ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7