REMARK Name = BDB028890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.864 4.175 2.028 0.00 0.00 +0.153 C ATOM 2 N LIG 1 -4.130 3.451 1.013 0.00 0.00 -0.302 N ATOM 3 C LIG 1 -4.651 2.222 0.588 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -5.693 1.740 1.022 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -3.837 1.582 -0.424 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -3.926 0.355 -1.139 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -2.817 0.304 -1.969 0.00 0.00 +0.097 A ATOM 8 N LIG 1 -2.076 1.444 -1.776 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -2.688 2.225 -0.834 0.00 0.00 +0.149 A ATOM 10 N LIG 1 -2.198 3.411 -0.403 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -2.950 3.970 0.500 0.00 0.00 +0.204 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.925 -0.700 -1.099 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -4.535 -2.043 -0.990 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -5.486 -3.080 -0.949 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -6.847 -2.752 -1.020 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -7.234 -1.409 -1.132 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 -8.909 -0.995 -1.230 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 -6.284 -0.390 -1.174 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 -4.957 -4.472 -0.833 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -3.753 -4.702 -0.804 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -5.854 -5.494 -0.759 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -6.853 -5.318 -0.798 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -5.512 -6.441 -0.690 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 -7.814 -3.730 -0.984 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -8.680 -3.278 -1.033 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 6 12 BRANCH 8 26 ATOM 26 C LIG 1 -0.855 1.787 -2.480 0.00 0.00 +0.219 C BRANCH 26 27 ATOM 27 C LIG 1 0.383 1.404 -1.694 0.00 0.00 +0.237 C ATOM 28 N LIG 1 0.598 2.187 -0.571 0.00 0.00 -0.283 N ATOM 29 H LIG 1 -0.131 2.869 -0.345 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 1.110 0.495 -2.089 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 1.669 2.106 0.358 0.00 0.00 +0.057 A ATOM 32 C LIG 1 1.688 2.978 1.447 0.00 0.00 +0.080 A ATOM 33 CL LIG 1 0.464 4.163 1.710 0.00 0.00 -0.080 Cl ATOM 34 C LIG 1 2.738 2.885 2.340 0.00 0.00 +0.134 A ATOM 35 N LIG 1 3.752 1.998 2.226 0.00 0.00 -0.239 NA ATOM 36 C LIG 1 3.751 1.144 1.180 0.00 0.00 +0.123 A ATOM 37 C LIG 1 2.720 1.190 0.236 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 N LIG 1 4.792 0.260 1.078 0.00 0.00 -0.315 N ATOM 39 C LIG 1 4.908 -0.806 0.094 0.00 0.00 +0.115 C ATOM 40 C LIG 1 6.282 -1.411 0.379 0.00 0.00 +0.013 C ATOM 41 C LIG 1 7.414 -0.727 -0.379 0.00 0.00 +0.168 C ATOM 42 O LIG 1 8.489 -1.681 -0.447 0.00 0.00 -0.379 OA ATOM 43 C LIG 1 7.967 -2.981 -0.140 0.00 0.00 +0.160 C ATOM 44 C LIG 1 6.460 -2.847 -0.068 0.00 0.00 +0.039 C ATOM 45 C LIG 1 6.418 -1.229 1.898 0.00 0.00 +0.029 C ATOM 46 C LIG 1 5.758 0.127 2.162 0.00 0.00 +0.107 C ENDBRANCH 36 38 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7