REMARK Name = BDB052324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.392 -2.632 -0.460 0.00 0.00 -0.002 A ATOM 2 C LIG 1 0.103 -2.243 -0.875 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.166 -2.328 -2.235 0.00 0.00 +0.139 A ATOM 4 N LIG 1 -1.450 -1.909 -2.440 0.00 0.00 -0.339 N ATOM 5 H LIG 1 -1.889 -1.899 -3.348 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -2.038 -1.533 -1.251 0.00 0.00 +0.049 A ATOM 7 N LIG 1 0.660 -2.741 -3.214 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 1.884 -3.093 -2.759 0.00 0.00 +0.114 A ATOM 9 C LIG 1 -1.082 -1.739 -0.266 0.00 0.00 +0.038 A ATOM 10 C LIG 1 2.297 -3.061 -1.435 0.00 0.00 +0.029 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -3.413 -1.042 -1.158 0.00 0.00 -0.002 A ATOM 12 C LIG 1 -3.980 -0.273 -2.182 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -5.297 0.190 -2.084 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -6.076 -0.101 -0.957 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -5.509 -0.871 0.067 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -4.192 -1.332 -0.031 0.00 0.00 +0.010 A BRANCH 14 17 ATOM 17 C LIG 1 -7.502 0.397 -0.852 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 N LIG 1 -7.715 1.704 -0.222 0.00 0.00 -0.294 NA ATOM 19 C LIG 1 -7.099 2.828 -0.947 0.00 0.00 +0.113 C ATOM 20 C LIG 1 -7.471 4.168 -0.288 0.00 0.00 +0.175 C ATOM 21 O LIG 1 -7.075 4.201 1.090 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 -7.692 3.122 1.807 0.00 0.00 +0.175 C ATOM 23 C LIG 1 -7.323 1.760 1.196 0.00 0.00 +0.113 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 1 27 ATOM 24 N LIG 1 1.773 -3.031 3.074 0.00 0.00 -0.271 N ATOM 25 N LIG 1 2.831 -2.220 2.920 0.00 0.00 -0.171 NA ATOM 26 C LIG 1 2.830 -1.902 1.612 0.00 0.00 +0.100 A ATOM 27 C LIG 1 1.760 -2.570 0.936 0.00 0.00 +0.028 A ATOM 28 C LIG 1 1.111 -3.293 1.915 0.00 0.00 +0.117 A BRANCH 26 29 ATOM 29 C LIG 1 3.844 -0.995 1.068 0.00 0.00 +0.003 A ATOM 30 C LIG 1 5.151 -1.021 1.571 0.00 0.00 +0.012 A ATOM 31 C LIG 1 6.132 -0.166 1.057 0.00 0.00 +0.024 A ATOM 32 C LIG 1 5.825 0.740 0.036 0.00 0.00 +0.035 A ATOM 33 C LIG 1 4.524 0.770 -0.467 0.00 0.00 +0.024 A ATOM 34 C LIG 1 3.540 -0.084 0.050 0.00 0.00 +0.012 A BRANCH 32 35 ATOM 35 N LIG 1 6.871 1.554 -0.443 0.00 0.00 -0.269 N ATOM 36 H LIG 1 7.747 1.480 0.049 0.00 0.00 +0.156 HD ATOM 37 C LIG 1 6.769 2.651 -1.270 0.00 0.00 +0.306 C ATOM 38 N LIG 1 8.004 3.145 -1.706 0.00 0.00 -0.291 N ATOM 39 C LIG 1 9.178 2.308 -1.913 0.00 0.00 +0.133 C ATOM 40 C LIG 1 7.977 4.375 -2.479 0.00 0.00 +0.133 C ATOM 41 O LIG 1 5.713 3.190 -1.591 0.00 0.00 -0.252 OA ENDBRANCH 32 35 ENDBRANCH 26 29 BRANCH 24 43 ATOM 42 C LIG 1 0.621 -2.583 5.203 0.00 0.00 +0.029 C ATOM 43 C LIG 1 1.456 -3.554 4.388 0.00 0.00 +0.140 C ENDBRANCH 24 43 ENDBRANCH 1 27 TORSDOF 7