REMARK Name = BDB058107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.172 1.292 -0.567 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.698 0.667 0.595 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -0.655 0.300 0.750 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -1.004 -0.472 2.017 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.389 -0.562 2.387 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.040 -1.468 1.588 0.00 0.00 +0.131 A ATOM 7 C LIG 1 -3.375 -1.112 0.274 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.004 0.244 -0.187 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -3.992 1.160 -0.368 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -5.475 0.919 -0.253 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -4.027 -2.041 -0.546 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.372 -3.292 -0.031 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.066 -3.606 1.292 0.00 0.00 +0.127 A ATOM 14 F LIG 1 -4.412 -4.805 1.778 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.405 -2.701 2.114 0.00 0.00 +0.084 A ATOM 16 C LIG 1 -1.558 0.593 -0.291 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -1.073 1.189 -1.470 0.00 0.00 +0.009 A ATOM 18 C LIG 1 0.269 1.551 -1.599 0.00 0.00 +0.004 A ENDROOT BRANCH 9 19 ATOM 19 C LIG 1 -3.695 2.581 -0.666 0.00 0.00 +0.179 A ATOM 20 N LIG 1 -2.939 3.282 0.177 0.00 0.00 -0.272 N ATOM 21 H LIG 1 -2.462 2.965 1.003 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -2.826 4.512 -0.340 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -2.169 5.430 0.124 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.569 4.568 -1.493 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -4.130 3.264 -1.668 0.00 0.00 -0.055 NA ENDBRANCH 9 19 BRANCH 1 26 ATOM 26 C LIG 1 2.627 1.690 -0.696 0.00 0.00 +0.090 C BRANCH 26 28 ATOM 27 C LIG 1 4.446 0.219 0.475 0.00 0.00 +0.089 A ATOM 28 C LIG 1 3.580 0.546 -0.559 0.00 0.00 +0.053 A ATOM 29 N LIG 1 3.768 -0.436 -1.515 0.00 0.00 -0.302 N ATOM 30 C LIG 1 4.720 -1.319 -1.005 0.00 0.00 +0.157 A ATOM 31 C LIG 1 5.069 -2.435 -1.825 0.00 0.00 +0.084 A ATOM 32 C LIG 1 4.495 -2.594 -3.033 0.00 0.00 +0.025 A ATOM 33 C LIG 1 3.513 -1.648 -3.535 0.00 0.00 +0.020 A ATOM 34 CL LIG 1 6.230 -3.568 -1.244 0.00 0.00 -0.080 Cl ATOM 35 C LIG 1 3.175 -0.598 -2.770 0.00 0.00 +0.093 A ATOM 36 N LIG 1 5.136 -0.936 0.185 0.00 0.00 -0.229 NA BRANCH 27 37 ATOM 37 C LIG 1 4.676 0.918 1.777 0.00 0.00 +0.216 C BRANCH 37 39 ATOM 38 C LIG 1 3.727 -0.599 3.325 0.00 0.00 +0.194 C ATOM 39 O LIG 1 3.626 0.688 2.726 0.00 0.00 -0.377 OA ENDBRANCH 37 39 ENDBRANCH 27 37 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 5