REMARK Name = BDB040588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.766 1.586 -0.543 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.665 0.892 -1.358 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.944 0.553 -0.897 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 3.934 -0.332 -2.010 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.373 0.900 0.403 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.440 1.571 1.223 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 2.781 1.999 2.867 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.162 1.909 0.756 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.765 0.554 0.928 0.00 0.00 +0.108 C ATOM 10 C LIG 1 5.897 1.028 0.019 0.00 0.00 +0.227 C ATOM 11 O LIG 1 5.871 2.099 -0.585 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 7.016 0.232 -0.029 0.00 0.00 -0.256 N ATOM 13 H LIG 1 7.764 0.566 -0.621 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 7.341 -0.805 0.807 0.00 0.00 +0.219 C ATOM 15 O LIG 1 8.465 -1.299 0.799 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 6.282 -1.234 1.792 0.00 0.00 +0.097 C ATOM 17 C LIG 1 4.887 -0.936 1.267 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.615 1.918 -1.040 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -1.861 -0.104 -1.742 0.00 0.00 +0.226 C ATOM 20 N LIG 1 -1.518 0.825 -0.782 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.006 0.791 0.110 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.396 -0.052 -2.881 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -3.132 -2.145 -2.470 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -2.784 -1.244 -1.266 0.00 0.00 +0.101 C ATOM 25 C LIG 1 -2.021 -2.107 -0.242 0.00 0.00 +0.029 C BRANCH 24 26 ATOM 26 C LIG 1 -4.041 -0.665 -0.621 0.00 0.00 +0.143 A ATOM 27 N LIG 1 -3.892 0.004 0.548 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 -5.012 0.502 1.112 0.00 0.00 +0.117 A ATOM 29 C LIG 1 -6.268 0.385 0.560 0.00 0.00 -0.014 A ATOM 30 C LIG 1 -7.490 0.918 1.223 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -6.314 -0.320 -0.622 0.00 0.00 +0.117 A ATOM 32 N LIG 1 -5.230 -0.845 -1.226 0.00 0.00 -0.239 NA ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5