REMARK Name = BDB059116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.523 -0.857 0.889 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.089 -0.781 0.754 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -0.312 -1.582 1.624 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.092 -1.552 1.554 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.814 -0.748 0.643 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.363 -0.773 0.638 0.00 0.00 +0.018 C ATOM 7 C LIG 1 3.751 -2.248 0.344 0.00 0.00 +0.021 C ATOM 8 C LIG 1 3.788 -0.328 2.064 0.00 0.00 +0.021 C ATOM 9 C LIG 1 4.034 0.154 -0.411 0.00 0.00 -0.001 A ATOM 10 C LIG 1 3.236 0.942 -1.274 0.00 0.00 +0.071 A ATOM 11 C LIG 1 3.816 1.800 -2.244 0.00 0.00 +0.150 A ATOM 12 C LIG 1 5.198 1.889 -2.376 0.00 0.00 +0.126 A ATOM 13 C LIG 1 6.010 1.129 -1.544 0.00 0.00 +0.157 A ATOM 14 CL LIG 1 5.928 2.929 -3.553 0.00 0.00 -0.076 Cl ATOM 15 C LIG 1 1.760 0.898 -1.190 0.00 0.00 +0.201 C ATOM 16 O LIG 1 1.095 1.599 -1.954 0.00 0.00 -0.286 OA ATOM 17 C LIG 1 5.450 0.272 -0.575 0.00 0.00 +0.089 A ATOM 18 CL LIG 1 6.605 -0.610 0.385 0.00 0.00 -0.079 Cl ATOM 19 C LIG 1 1.064 0.041 -0.220 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -0.923 -2.421 2.572 0.00 0.00 +0.054 A ATOM 21 C LIG 1 -2.303 -2.478 2.679 0.00 0.00 +0.118 A ATOM 22 C LIG 1 -0.356 0.023 -0.172 0.00 0.00 +0.136 A ATOM 23 C LIG 1 -3.099 -1.708 1.854 0.00 0.00 +0.054 A ENDROOT BRANCH 1 25 ATOM 24 C LIG 1 -3.913 1.200 0.538 0.00 0.00 +0.132 A ATOM 25 C LIG 1 -3.464 -0.063 0.060 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -3.931 -0.550 -1.194 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -3.466 -1.874 -1.750 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -4.806 0.254 -1.946 0.00 0.00 +0.086 A ATOM 29 CL LIG 1 -5.387 -0.247 -3.503 0.00 0.00 -0.079 Cl ATOM 30 C LIG 1 -5.232 1.492 -1.455 0.00 0.00 +0.139 A ATOM 31 C LIG 1 -4.799 1.964 -0.224 0.00 0.00 +0.093 A BRANCH 24 33 ATOM 32 C LIG 1 -3.738 2.901 2.210 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -3.432 1.586 1.767 0.00 0.00 -0.494 OA ENDBRANCH 24 33 BRANCH 30 34 ATOM 34 O LIG 1 -6.093 2.295 -2.159 0.00 0.00 -0.505 OA ATOM 35 H LIG 1 -6.289 1.833 -2.996 0.00 0.00 +0.292 HD ENDBRANCH 30 34 ENDBRANCH 1 25 BRANCH 13 36 ATOM 36 O LIG 1 7.379 1.213 -1.669 0.00 0.00 -0.504 OA ATOM 37 H LIG 1 7.579 1.849 -2.383 0.00 0.00 +0.292 HD ENDBRANCH 13 36 BRANCH 11 38 ATOM 38 O LIG 1 3.061 2.575 -3.093 0.00 0.00 -0.504 OA ATOM 39 H LIG 1 2.107 2.428 -2.904 0.00 0.00 +0.292 HD ENDBRANCH 11 38 BRANCH 21 40 ATOM 40 O LIG 1 -2.918 -3.284 3.589 0.00 0.00 -0.507 OA ATOM 41 H LIG 1 -2.243 -3.737 4.120 0.00 0.00 +0.292 HD ENDBRANCH 21 40 BRANCH 22 42 ATOM 42 O LIG 1 -1.084 0.797 -1.050 0.00 0.00 -0.505 OA ATOM 43 H LIG 1 -0.472 1.323 -1.607 0.00 0.00 +0.292 HD ENDBRANCH 22 42 TORSDOF 7