REMARK Name = BDB063188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.805 1.099 -1.290 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.714 0.684 -2.257 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -2.986 0.252 -1.877 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -3.377 0.231 -0.528 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.470 0.713 0.423 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.192 1.146 0.047 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.683 -0.212 -0.239 0.00 0.00 -0.325 N ATOM 8 C LIG 1 -5.009 -1.038 0.968 0.00 0.00 +0.087 C ATOM 9 C LIG 1 -5.536 -0.026 1.996 0.00 0.00 +0.020 C ATOM 10 C LIG 1 -6.335 -0.665 3.126 0.00 0.00 +0.010 C ATOM 11 C LIG 1 -6.394 0.871 1.086 0.00 0.00 +0.115 C ATOM 12 C LIG 1 -5.575 0.993 -0.200 0.00 0.00 +0.118 C BRANCH 11 13 ATOM 13 C LIG 1 -6.699 2.234 1.654 0.00 0.00 +0.395 C ATOM 14 F LIG 1 -7.349 2.995 0.745 0.00 0.00 -0.170 F ATOM 15 F LIG 1 -5.575 2.890 2.014 0.00 0.00 -0.170 F ATOM 16 F LIG 1 -7.491 2.142 2.745 0.00 0.00 -0.170 F ENDBRANCH 11 13 BRANCH 8 17 ATOM 17 C LIG 1 -3.932 -2.018 1.421 0.00 0.00 +0.143 C BRANCH 17 18 ATOM 18 C LIG 1 -3.831 -3.217 0.508 0.00 0.00 +0.306 C ATOM 19 O LIG 1 -3.588 -4.343 0.921 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 -3.981 -2.958 -0.807 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 -4.143 -2.005 -0.994 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 8 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 O LIG 1 0.414 1.522 -1.735 0.00 0.00 -0.488 OA BRANCH 22 27 ATOM 23 N LIG 1 4.090 0.244 -0.403 0.00 0.00 -0.328 N ATOM 24 C LIG 1 3.798 0.031 -1.824 0.00 0.00 +0.112 C ATOM 25 C LIG 1 2.274 -0.005 -2.028 0.00 0.00 +0.044 C ATOM 26 C LIG 1 1.738 -1.434 -1.877 0.00 0.00 +0.013 C ATOM 27 C LIG 1 1.543 0.946 -1.051 0.00 0.00 +0.179 C ATOM 28 C LIG 1 2.456 2.091 -0.621 0.00 0.00 +0.064 C ATOM 29 C LIG 1 3.677 1.558 0.127 0.00 0.00 +0.109 C BRANCH 23 35 ATOM 30 C LIG 1 7.756 -0.333 -0.228 0.00 0.00 +0.216 A ATOM 31 N LIG 1 7.941 -0.889 0.984 0.00 0.00 -0.220 NA ATOM 32 C LIG 1 6.827 -1.075 1.730 0.00 0.00 +0.136 A ATOM 33 C LIG 1 5.544 -0.724 1.325 0.00 0.00 +0.080 A ATOM 34 CL LIG 1 4.224 -1.062 2.386 0.00 0.00 -0.080 Cl ATOM 35 C LIG 1 5.367 -0.143 0.056 0.00 0.00 +0.055 A ATOM 36 C LIG 1 6.516 0.048 -0.725 0.00 0.00 +0.091 A BRANCH 30 38 ATOM 37 C LIG 1 10.072 -0.539 -0.495 0.00 0.00 +0.279 C ATOM 38 O LIG 1 8.838 -0.101 -1.054 0.00 0.00 -0.480 OA ENDBRANCH 30 38 ENDBRANCH 23 35 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 9