REMARK Name = BDB063768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.628 -1.284 0.640 0.00 0.00 +0.221 C ATOM 2 N LIG 1 0.306 -1.547 1.044 0.00 0.00 -0.257 N ATOM 3 O LIG 1 2.592 -1.932 1.063 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 0.111 -2.300 2.273 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -0.989 -3.157 2.443 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.192 -3.846 3.646 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -0.299 -3.685 4.699 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 -0.554 -4.526 6.177 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 0.797 -2.845 4.558 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.999 -2.160 3.354 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 11 ATOM 11 C LIG 1 1.882 -0.224 -0.421 0.00 0.00 +0.096 C BRANCH 11 12 ATOM 12 C LIG 1 3.362 0.162 -0.529 0.00 0.00 +0.010 C BRANCH 12 13 ATOM 13 C LIG 1 3.600 1.345 -1.472 0.00 0.00 +0.012 C BRANCH 13 14 ATOM 14 C LIG 1 3.250 1.040 -2.924 0.00 0.00 +0.120 C BRANCH 14 15 ATOM 15 C LIG 1 3.542 2.227 -3.804 0.00 0.00 +0.307 C ATOM 16 O LIG 1 4.537 2.335 -4.508 0.00 0.00 -0.251 OA BRANCH 15 18 ATOM 17 C LIG 1 2.761 4.325 -4.481 0.00 0.00 +0.280 C ATOM 18 O LIG 1 2.548 3.154 -3.691 0.00 0.00 -0.468 OA ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -0.925 -0.856 0.529 0.00 0.00 +0.184 C BRANCH 19 20 ATOM 20 C LIG 1 -1.042 -0.677 -0.989 0.00 0.00 -0.001 A ATOM 21 C LIG 1 -1.147 -1.786 -1.857 0.00 0.00 +0.049 A ATOM 22 CL LIG 1 -1.163 -3.412 -1.279 0.00 0.00 -0.083 Cl ATOM 23 C LIG 1 -1.259 -1.613 -3.240 0.00 0.00 +0.058 A ATOM 24 C LIG 1 -1.277 -0.335 -3.774 0.00 0.00 +0.125 A ATOM 25 F LIG 1 -1.383 -0.172 -5.098 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -1.188 0.778 -2.954 0.00 0.00 +0.039 A ATOM 27 C LIG 1 -1.078 0.611 -1.571 0.00 0.00 +0.010 A ENDBRANCH 19 20 BRANCH 19 28 ATOM 28 C LIG 1 -1.128 0.431 1.358 0.00 0.00 +0.188 C ATOM 29 O LIG 1 -0.212 1.212 1.619 0.00 0.00 -0.290 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.494 0.758 1.873 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -2.588 1.575 3.010 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -3.837 1.918 3.535 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.996 1.451 2.920 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -6.535 1.870 3.561 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -4.915 0.648 1.783 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.666 0.302 1.256 0.00 0.00 +0.013 A ENDBRANCH 28 30 ENDBRANCH 19 28 ENDBRANCH 2 19 TORSDOF 11