REMARK Name = BDB065156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.340 -1.394 1.033 0.00 0.00 +0.100 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.208 -2.367 0.228 0.00 0.00 -0.036 A ATOM 3 C LIG 1 -1.837 -2.713 -1.084 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.615 -3.590 -1.846 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -3.762 -4.154 -1.297 0.00 0.00 +0.041 A ATOM 6 CL LIG 1 -4.722 -5.227 -2.237 0.00 0.00 -0.084 Cl ATOM 7 C LIG 1 -4.125 -3.863 0.013 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -3.346 -2.986 0.773 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 -0.659 -2.080 2.239 0.00 0.00 +0.142 C ATOM 10 O LIG 1 -1.100 -3.123 2.735 0.00 0.00 -0.297 OA BRANCH 9 11 ATOM 11 C LIG 1 0.549 -1.426 2.911 0.00 0.00 +0.084 C BRANCH 11 12 ATOM 12 C LIG 1 1.449 -0.520 2.078 0.00 0.00 +0.103 C BRANCH 12 17 ATOM 13 C LIG 1 5.662 0.644 -0.788 0.00 0.00 +0.059 C ATOM 14 C LIG 1 5.411 -0.879 -0.720 0.00 0.00 +0.038 C ATOM 15 C LIG 1 3.930 -1.238 -0.753 0.00 0.00 +0.109 C ATOM 16 N LIG 1 3.185 -0.561 0.310 0.00 0.00 -0.301 N ATOM 17 C LIG 1 2.156 -1.245 0.945 0.00 0.00 +0.216 C ATOM 18 O LIG 1 1.787 -2.361 0.584 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 3.587 0.808 0.638 0.00 0.00 +0.109 C ATOM 20 C LIG 1 4.389 1.458 -0.485 0.00 0.00 +0.038 C BRANCH 13 22 ATOM 21 C LIG 1 5.611 0.878 -3.255 0.00 0.00 +0.104 C ATOM 22 N LIG 1 6.380 1.030 -2.021 0.00 0.00 -0.305 NA ATOM 23 C LIG 1 6.947 2.377 -1.941 0.00 0.00 +0.104 C ENDBRANCH 13 22 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 1 9 BRANCH 1 24 ATOM 24 C LIG 1 -1.982 -0.027 1.448 0.00 0.00 +0.106 C BRANCH 24 25 ATOM 25 C LIG 1 -1.855 1.156 0.468 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -1.897 2.494 0.931 0.00 0.00 +0.048 A ATOM 27 CL LIG 1 -2.078 2.888 2.607 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -1.787 3.573 0.049 0.00 0.00 +0.058 A ATOM 29 C LIG 1 -1.631 3.333 -1.306 0.00 0.00 +0.125 A ATOM 30 F LIG 1 -1.522 4.365 -2.152 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -1.586 2.039 -1.796 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -1.697 0.959 -0.916 0.00 0.00 +0.008 A ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -3.359 -0.162 2.102 0.00 0.00 +0.172 C ATOM 34 O LIG 1 -3.463 -0.638 3.234 0.00 0.00 -0.291 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.603 0.320 1.439 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -4.869 0.115 0.082 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -6.058 0.592 -0.478 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -6.984 1.264 0.319 0.00 0.00 +0.041 A ATOM 39 CL LIG 1 -8.442 1.852 -0.377 0.00 0.00 -0.084 Cl ATOM 40 C LIG 1 -6.737 1.456 1.676 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -5.550 0.978 2.237 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 1 24 TORSDOF 10