REMARK Name = BDB058140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.371 -1.052 0.118 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.575 -1.990 0.539 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.933 -1.657 0.565 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.385 -0.390 0.161 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.426 0.531 -0.272 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.061 0.208 -0.302 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -2.730 -0.443 0.295 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -2.414 0.510 0.411 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -1.805 -1.451 0.107 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.114 -2.628 -0.039 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -6.665 -0.282 -2.687 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.140 -0.953 -1.396 0.00 0.00 +0.043 C ATOM 13 N LIG 1 -6.955 -0.430 -0.260 0.00 0.00 -0.180 NA ATOM 14 C LIG 1 -6.352 0.661 0.546 0.00 0.00 +0.043 C ATOM 15 C LIG 1 -7.282 0.995 1.743 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -6.263 1.974 -0.267 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -4.953 0.275 1.093 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -4.164 -0.694 0.197 0.00 0.00 +0.077 C ATOM 19 C LIG 1 -4.626 -0.660 -1.257 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -6.342 -2.476 -1.618 0.00 0.00 +0.030 C BRANCH 13 21 ATOM 21 O LIG 1 -7.282 -1.518 0.657 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -6.435 -1.907 0.940 0.00 0.00 +0.237 HD ENDBRANCH 13 21 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 3.755 -0.120 0.222 0.00 0.00 -0.284 N ATOM 24 H LIG 1 4.358 -0.875 0.518 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 4.543 0.983 -0.089 0.00 0.00 +0.221 A ATOM 26 N LIG 1 5.861 0.805 0.102 0.00 0.00 -0.198 NA ATOM 27 C LIG 1 6.710 1.816 -0.184 0.00 0.00 +0.147 A ATOM 28 C LIG 1 6.237 3.033 -0.656 0.00 0.00 +0.099 A ATOM 29 CL LIG 1 7.259 4.358 -1.049 0.00 0.00 -0.078 Cl ATOM 30 C LIG 1 4.876 3.131 -0.816 0.00 0.00 +0.137 A ATOM 31 N LIG 1 4.018 2.129 -0.542 0.00 0.00 -0.221 NA BRANCH 27 32 ATOM 32 N LIG 1 8.101 1.656 0.032 0.00 0.00 -0.297 N ATOM 33 H LIG 1 8.634 2.093 -0.719 0.00 0.00 +0.154 HD BRANCH 32 34 ATOM 34 C LIG 1 8.807 0.566 0.594 0.00 0.00 +0.051 A ATOM 35 C LIG 1 10.133 0.299 0.195 0.00 0.00 +0.062 A ATOM 36 CL LIG 1 10.892 1.263 -1.028 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 10.868 -0.748 0.760 0.00 0.00 +0.022 A ATOM 38 C LIG 1 10.293 -1.542 1.749 0.00 0.00 +0.002 A ATOM 39 C LIG 1 8.993 -1.283 2.174 0.00 0.00 +0.002 A ATOM 40 C LIG 1 8.261 -0.234 1.606 0.00 0.00 +0.025 A ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 7