REMARK Name = BDB007265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.225 2.624 -1.877 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.814 1.394 -2.404 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -4.820 0.644 -1.773 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.273 1.069 -0.553 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.268 0.211 0.201 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.343 0.977 1.079 0.00 0.00 -0.258 N ATOM 7 C LIG 1 -2.728 2.232 1.581 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -4.147 2.702 1.312 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -2.016 2.971 2.265 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.702 2.277 -0.009 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -5.674 3.052 -0.667 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.964 -0.946 0.930 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -4.401 -0.840 2.261 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -5.048 -1.909 2.889 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.271 -3.093 2.192 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.070 -4.407 2.965 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.850 -3.220 0.872 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.200 -2.154 0.245 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.096 0.337 1.492 0.00 0.00 +0.055 A ATOM 20 C LIG 1 -0.245 0.846 2.475 0.00 0.00 +0.136 A ATOM 21 N LIG 1 0.899 0.254 2.928 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 1.275 -0.924 2.407 0.00 0.00 +0.121 A ATOM 23 C LIG 1 0.509 -1.504 1.403 0.00 0.00 +0.045 A ATOM 24 C LIG 1 -0.664 -0.882 0.954 0.00 0.00 +0.028 A BRANCH 22 25 ATOM 25 N LIG 1 2.442 -1.573 2.855 0.00 0.00 -0.318 N ATOM 26 C LIG 1 2.122 -2.839 3.524 0.00 0.00 +0.130 C BRANCH 25 27 ATOM 27 C LIG 1 3.388 -0.715 3.600 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 4.627 -0.353 2.751 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.308 0.500 1.510 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.392 -0.323 0.228 0.00 0.00 +0.019 C ATOM 31 C LIG 1 5.826 -0.858 -0.036 0.00 0.00 +0.057 C ATOM 32 C LIG 1 6.484 -1.263 1.314 0.00 0.00 +0.019 C ATOM 33 C LIG 1 5.464 -1.597 2.398 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 6.707 0.083 -0.786 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 6.124 0.447 -2.108 0.00 0.00 +0.181 C ATOM 36 C LIG 1 7.038 1.285 -3.019 0.00 0.00 +0.229 C ATOM 37 O LIG 1 6.545 2.005 -3.893 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 8.413 1.113 -2.894 0.00 0.00 -0.302 N ATOM 39 C LIG 1 9.287 1.956 -3.687 0.00 0.00 +0.132 C ATOM 40 C LIG 1 8.950 0.585 -1.654 0.00 0.00 +0.123 C ATOM 41 C LIG 1 8.052 -0.478 -1.020 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 43 ATOM 42 C LIG 1 -7.440 4.647 -2.207 0.00 0.00 +0.277 C ATOM 43 O LIG 1 -7.177 3.304 -2.590 0.00 0.00 -0.491 OA ENDBRANCH 1 43 BRANCH 2 44 ATOM 44 O LIG 1 -6.327 0.955 -3.595 0.00 0.00 -0.486 OA BRANCH 44 45 ATOM 45 C LIG 1 -7.373 -0.034 -3.509 0.00 0.00 +0.167 C ATOM 46 C LIG 1 -8.364 0.117 -2.351 0.00 0.00 +0.051 C ATOM 47 C LIG 1 -6.789 -1.444 -3.568 0.00 0.00 +0.051 C ENDBRANCH 44 45 ENDBRANCH 2 44 TORSDOF 9