REMARK Name = BDB006187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.431 0.609 -0.329 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.072 1.201 0.871 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -1.139 1.533 1.884 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.305 2.136 2.930 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.129 1.070 1.358 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.365 1.012 1.830 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.089 0.561 0.764 0.00 0.00 -0.235 N ATOM 8 C LIG 1 1.267 0.161 -0.309 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -0.005 0.535 0.081 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.637 -1.877 1.610 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.050 -1.892 0.161 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -1.936 -0.776 -0.708 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -2.370 -0.934 -2.047 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.881 -2.143 -2.522 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.977 -3.227 -1.664 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.602 -4.722 -2.239 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.568 -3.107 -0.339 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.470 1.467 0.945 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -4.163 1.467 2.168 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -3.544 1.091 3.297 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -5.532 1.741 2.220 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -6.377 1.718 3.723 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -6.241 2.010 1.052 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -5.579 1.987 -0.172 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -4.208 1.712 -0.225 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 7 26 ATOM 26 C LIG 1 3.503 0.508 0.890 0.00 0.00 +0.069 A ATOM 27 C LIG 1 4.380 1.077 -0.054 0.00 0.00 -0.024 A ATOM 28 C LIG 1 3.946 1.928 -1.217 0.00 0.00 +0.046 C ATOM 29 C LIG 1 5.766 0.913 0.141 0.00 0.00 +0.024 A ATOM 30 C LIG 1 6.269 0.259 1.273 0.00 0.00 +0.052 A ATOM 31 C LIG 1 5.388 -0.232 2.237 0.00 0.00 +0.021 A ATOM 32 C LIG 1 4.012 -0.098 2.052 0.00 0.00 +0.029 A BRANCH 30 33 ATOM 33 C LIG 1 7.685 0.117 1.450 0.00 0.00 +0.099 C ATOM 34 N LIG 1 8.832 -0.000 1.585 0.00 0.00 -0.191 NA ENDBRANCH 30 33 ENDBRANCH 7 26 BRANCH 8 35 ATOM 35 C LIG 1 1.774 -0.581 -1.518 0.00 0.00 +0.032 C ATOM 36 C LIG 1 1.277 0.043 -2.822 0.00 0.00 +0.014 C ATOM 37 C LIG 1 1.424 -2.068 -1.450 0.00 0.00 +0.014 C ENDBRANCH 8 35 TORSDOF 5