REMARK Name = BDB063759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.207 -0.047 0.384 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.171 0.922 -0.731 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -0.485 0.506 -2.038 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -0.441 -1.151 -2.523 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -0.852 1.436 -3.016 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.907 2.785 -2.697 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -1.260 3.671 -3.638 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -0.604 3.229 -1.420 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -0.239 2.304 -0.442 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 -0.732 0.363 2.603 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 -0.902 -0.083 1.465 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 -2.234 -0.642 1.120 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.370 -1.822 0.383 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.645 -2.308 0.079 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.777 -1.623 0.523 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.342 -2.225 0.146 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.645 -0.459 1.278 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.373 0.029 1.583 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 1.451 0.424 1.037 0.00 0.00 -0.330 N ATOM 20 H LIG 1 1.289 0.557 2.039 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 2.683 -0.167 0.764 0.00 0.00 +0.028 A ATOM 22 C LIG 1 3.018 -0.717 -0.480 0.00 0.00 +0.026 A ATOM 23 C LIG 1 4.294 -1.238 -0.721 0.00 0.00 +0.040 A ATOM 24 C LIG 1 5.256 -1.184 0.277 0.00 0.00 +0.124 A ATOM 25 F LIG 1 6.479 -1.679 0.045 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.970 -0.607 1.504 0.00 0.00 +0.040 A ATOM 27 C LIG 1 3.694 -0.089 1.738 0.00 0.00 +0.026 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5