REMARK Name = BDB005892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.977 0.923 0.104 0.00 0.00 +0.128 A ATOM 2 N LIG 1 3.649 -0.380 -0.083 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 2.424 -0.722 -0.564 0.00 0.00 +0.099 A ATOM 4 C LIG 1 1.505 0.300 -0.830 0.00 0.00 +0.096 A ATOM 5 C LIG 1 1.869 1.636 -0.662 0.00 0.00 +0.095 A ATOM 6 N LIG 1 0.859 2.480 -1.026 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 -0.143 1.713 -1.377 0.00 0.00 +0.200 A ATOM 8 N LIG 1 0.184 0.374 -1.245 0.00 0.00 -0.310 N ATOM 9 C LIG 1 3.135 1.978 -0.192 0.00 0.00 +0.063 A ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 2.218 -2.143 -0.765 0.00 0.00 +0.022 A ATOM 11 C LIG 1 2.077 -3.021 0.317 0.00 0.00 +0.033 A ATOM 12 C LIG 1 1.901 -4.382 0.086 0.00 0.00 +0.060 A ATOM 13 CL LIG 1 1.706 -5.470 1.399 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 1.875 -4.833 -1.224 0.00 0.00 +0.130 A ATOM 15 N LIG 1 2.022 -4.023 -2.300 0.00 0.00 -0.261 NA ATOM 16 C LIG 1 2.211 -2.706 -2.042 0.00 0.00 +0.120 A ENDBRANCH 3 10 BRANCH 7 17 ATOM 17 N LIG 1 -1.364 2.123 -1.840 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -1.886 3.370 -1.167 0.00 0.00 +0.132 C ATOM 19 C LIG 1 -3.232 3.805 -1.814 0.00 0.00 +0.187 C ATOM 20 O LIG 1 -3.125 3.986 -3.236 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -2.699 2.761 -3.846 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -1.326 2.339 -3.317 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -2.051 3.186 0.342 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -1.129 3.790 1.215 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -1.246 3.642 2.599 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.286 2.886 3.134 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.204 2.273 2.285 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.087 2.420 0.901 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 7 17 BRANCH 1 31 ATOM 29 C LIG 1 7.474 0.545 1.638 0.00 0.00 +0.132 C ATOM 30 N LIG 1 6.057 0.333 1.401 0.00 0.00 -0.302 N ATOM 31 C LIG 1 5.365 1.236 0.585 0.00 0.00 +0.265 C ATOM 32 O LIG 1 5.862 2.307 0.230 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 5.474 -0.854 2.007 0.00 0.00 +0.132 C ENDBRANCH 1 31 BRANCH 8 34 ATOM 34 C LIG 1 -0.736 -0.720 -1.508 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.870 -0.884 -0.477 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.372 -1.294 0.924 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -1.557 -2.784 1.195 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.031 -3.215 1.108 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.712 -3.167 2.476 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.826 -2.382 0.088 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.928 -1.861 -1.027 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6