REMARK Name = BDB063765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 -0.003 -0.449 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.247 0.033 -1.931 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -1.441 -1.080 -2.775 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -1.269 -2.720 -2.264 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -1.789 -0.902 -4.120 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.936 0.376 -4.638 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -2.270 0.534 -5.925 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -1.739 1.492 -3.842 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -1.393 1.322 -2.502 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 C LIG 1 1.573 -0.363 -0.795 0.00 0.00 +0.245 C ATOM 11 N LIG 1 0.559 0.383 -0.193 0.00 0.00 -0.253 N ATOM 12 O LIG 1 1.437 -1.044 -1.807 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 0.811 1.517 0.646 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.813 2.438 0.306 0.00 0.00 +0.025 A ATOM 15 C LIG 1 2.057 3.560 1.106 0.00 0.00 +0.022 A ATOM 16 C LIG 1 1.298 3.771 2.252 0.00 0.00 +0.041 A ATOM 17 CL LIG 1 1.595 5.149 3.235 0.00 0.00 -0.084 Cl ATOM 18 C LIG 1 0.296 2.871 2.604 0.00 0.00 +0.022 A ATOM 19 C LIG 1 0.050 1.751 1.801 0.00 0.00 +0.025 A ENDBRANCH 11 13 BRANCH 10 21 ATOM 20 C LIG 1 3.041 -0.738 1.131 0.00 0.00 +0.096 C ATOM 21 C LIG 1 2.910 -0.373 -0.152 0.00 0.00 +0.075 C BRANCH 20 22 ATOM 22 C LIG 1 4.334 -0.825 1.831 0.00 0.00 +0.332 C ATOM 23 O LIG 1 4.420 -1.173 2.998 0.00 0.00 -0.246 OA BRANCH 22 25 ATOM 24 C LIG 1 6.642 -0.534 1.663 0.00 0.00 +0.280 C ATOM 25 O LIG 1 5.365 -0.462 1.029 0.00 0.00 -0.465 OA ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 10 21 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -1.246 -1.221 0.406 0.00 0.00 +0.188 C ATOM 27 O LIG 1 -0.416 -1.850 1.070 0.00 0.00 -0.290 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.688 -1.616 0.540 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -3.751 -0.801 0.125 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -5.073 -1.235 0.281 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -5.340 -2.477 0.853 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -6.967 -3.000 1.041 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -4.295 -3.293 1.276 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -2.974 -2.863 1.122 0.00 0.00 +0.013 A ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8