REMARK Name = BDB036277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.864 -1.775 -1.049 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.780 -2.044 -2.436 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.427 -2.406 -3.044 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.264 -2.629 -4.454 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -1.026 -2.435 -4.882 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.596 -2.491 -2.245 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.558 -2.232 -0.869 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -2.055 -1.982 -3.606 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.320 -1.922 -0.295 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.134 -1.344 -0.338 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -2.692 2.071 -0.101 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -3.825 1.405 -0.665 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -4.749 0.975 0.235 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -4.505 0.281 1.409 0.00 0.00 +0.168 A ATOM 15 C LIG 1 -5.591 -0.136 2.194 0.00 0.00 +0.055 A ATOM 16 C LIG 1 -6.882 0.155 1.779 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -7.043 0.840 0.590 0.00 0.00 +0.134 A ATOM 18 CL LIG 1 -8.235 -0.328 2.713 0.00 0.00 -0.082 Cl ATOM 19 S LIG 1 -2.899 -0.156 1.970 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -2.446 0.935 2.807 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -2.994 -1.501 2.499 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -1.907 -0.221 0.612 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 -6.009 1.245 -0.187 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -1.526 1.075 -0.024 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -2.133 2.996 -2.451 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -2.361 3.295 -0.974 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 2.795 -2.248 0.034 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 2.979 -0.921 0.802 0.00 0.00 -0.034 A ATOM 29 C LIG 1 3.042 0.362 0.180 0.00 0.00 -0.017 A ATOM 30 C LIG 1 2.901 0.580 -1.299 0.00 0.00 +0.046 C ATOM 31 C LIG 1 3.173 1.484 1.033 0.00 0.00 +0.116 A ATOM 32 N LIG 1 3.230 2.820 0.721 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 3.349 3.507 1.848 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 3.362 2.621 2.860 0.00 0.00 -0.247 N ATOM 35 C LIG 1 3.466 3.099 4.213 0.00 0.00 +0.175 C ATOM 36 C LIG 1 3.261 1.332 2.410 0.00 0.00 +0.089 A ATOM 37 C LIG 1 3.229 0.092 3.040 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.085 -1.022 2.209 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 4.115 -2.688 -0.620 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 5.147 -3.037 0.421 0.00 0.00 +0.306 C ATOM 41 O LIG 1 5.222 -4.134 0.955 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 5.981 -2.023 0.735 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 5.764 -1.172 0.307 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 7 27 TORSDOF 8