REMARK Name = BDB007240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.414 -2.381 1.107 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -7.143 -1.030 1.347 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.868 -0.507 1.111 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.843 -1.304 0.561 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.480 -0.694 0.269 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.443 -1.624 -0.249 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -2.690 -2.967 -0.516 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -4.057 -3.556 -0.244 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.834 -3.752 -0.942 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -5.113 -2.647 0.299 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.392 -3.181 0.574 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.639 0.524 -0.662 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.464 1.828 -0.157 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.589 2.937 -0.997 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.899 2.756 -2.343 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -4.047 4.125 -3.373 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.090 1.474 -2.860 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.961 0.362 -2.023 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.136 -1.063 -0.531 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.583 -0.057 0.273 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.638 0.545 -0.057 0.00 0.00 +0.025 A ATOM 22 C LIG 1 1.343 0.166 -1.200 0.00 0.00 +0.030 A ATOM 23 C LIG 1 0.808 -0.853 -1.994 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -0.408 -1.461 -1.661 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 2.540 0.839 -1.515 0.00 0.00 -0.333 N ATOM 26 C LIG 1 2.423 1.595 -2.764 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 3.729 -0.033 -1.425 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 4.450 0.197 -0.071 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.988 1.645 0.037 0.00 0.00 +0.006 C ATOM 30 C LIG 1 6.301 1.717 0.811 0.00 0.00 +0.019 C ATOM 31 C LIG 1 7.426 0.957 0.065 0.00 0.00 +0.057 C ATOM 32 C LIG 1 6.891 -0.395 -0.491 0.00 0.00 +0.019 C ATOM 33 C LIG 1 5.571 -0.837 0.138 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 8.655 0.743 0.874 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 9.018 1.913 1.722 0.00 0.00 +0.180 C ATOM 36 C LIG 1 10.355 1.755 2.466 0.00 0.00 +0.227 C ATOM 37 O LIG 1 10.611 2.375 3.502 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 11.325 0.973 1.889 0.00 0.00 -0.313 N ATOM 39 H LIG 1 12.151 0.850 2.462 0.00 0.00 +0.149 HD ATOM 40 C LIG 1 10.992 -0.020 0.893 0.00 0.00 +0.119 C ATOM 41 C LIG 1 9.816 0.413 0.013 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 -8.899 -4.215 1.443 0.00 0.00 +0.277 C ATOM 43 O LIG 1 -8.681 -2.810 1.399 0.00 0.00 -0.491 OA ENDBRANCH 1 43 BRANCH 2 44 ATOM 44 O LIG 1 -8.105 -0.209 1.891 0.00 0.00 -0.486 OA BRANCH 44 45 ATOM 45 C LIG 1 -8.660 0.679 0.904 0.00 0.00 +0.167 C ATOM 46 C LIG 1 -8.647 2.090 1.502 0.00 0.00 +0.051 C ATOM 47 C LIG 1 -10.092 0.230 0.597 0.00 0.00 +0.051 C ENDBRANCH 44 45 ENDBRANCH 2 44 TORSDOF 9