REMARK Name = BDB011083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.825 -1.342 0.024 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -0.394 -0.162 -0.590 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.290 0.839 -0.243 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.022 0.284 0.789 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.939 0.936 1.518 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.091 2.208 1.129 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.459 2.841 0.123 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.556 2.155 -0.613 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.711 -1.021 0.961 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.074 2.992 1.910 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.769 2.388 2.888 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.713 1.422 3.169 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.572 3.315 3.424 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.356 3.141 4.344 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.364 4.503 2.767 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.364 4.245 1.772 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.985 2.865 -1.745 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.255 4.048 -1.575 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.285 4.696 -2.682 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.207 6.130 -2.490 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.075 4.147 -3.937 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.637 3.015 -4.152 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.169 2.421 -3.057 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.413 -2.808 -0.256 0.00 0.00 +0.150 C ATOM 25 C LIG 1 1.106 -3.037 -0.326 0.00 0.00 +0.055 C BRANCH 24 26 ATOM 26 C LIG 1 -1.056 -3.731 0.837 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -2.455 -3.998 0.857 0.00 0.00 +0.058 A ATOM 28 C LIG 1 -3.011 -4.826 1.849 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -2.211 -5.390 2.838 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -0.849 -5.122 2.853 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -0.280 -4.301 1.873 0.00 0.00 +0.008 A BRANCH 27 32 ATOM 32 C LIG 1 -3.375 -3.428 -0.096 0.00 0.00 +0.100 C ATOM 33 N LIG 1 -4.145 -2.987 -0.847 0.00 0.00 -0.191 NA ENDBRANCH 27 32 ENDBRANCH 24 26 BRANCH 24 35 ATOM 34 C LIG 1 -0.749 -2.697 -2.715 0.00 0.00 +0.195 C ATOM 35 O LIG 1 -1.021 -3.297 -1.468 0.00 0.00 -0.364 OA ENDBRANCH 24 35 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 C LIG 1 0.832 0.049 -1.342 0.00 0.00 +0.127 C BRANCH 36 37 ATOM 37 C LIG 1 2.080 0.286 -0.466 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.089 1.659 0.215 0.00 0.00 +0.005 C ATOM 39 C LIG 1 3.285 1.817 1.160 0.00 0.00 +0.003 C ATOM 40 C LIG 1 4.595 1.204 0.633 0.00 0.00 -0.014 C ATOM 41 C LIG 1 4.962 -0.077 1.388 0.00 0.00 +0.007 C ATOM 42 C LIG 1 4.535 0.966 -0.878 0.00 0.00 +0.003 C ATOM 43 C LIG 1 3.355 0.094 -1.313 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 8