REMARK Name = BDB035541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.400 0.299 -0.802 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -0.117 0.215 -0.205 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.082 0.399 -0.913 0.00 0.00 +0.037 A ATOM 4 C LIG 1 0.987 0.671 -2.283 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.255 0.764 -2.912 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.426 0.584 -2.179 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.352 0.315 -0.279 0.00 0.00 -0.263 N ATOM 8 C LIG 1 2.593 0.099 1.082 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.831 -0.053 2.018 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.050 0.085 1.263 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.776 -0.103 2.424 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.167 -0.072 2.327 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.793 0.143 1.085 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.040 0.333 -0.090 0.00 0.00 +0.060 A ATOM 15 C LIG 1 4.653 0.298 0.029 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.600 0.466 -1.018 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 6.697 0.563 -1.424 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.324 1.748 -1.983 0.00 0.00 -0.166 F ATOM 19 F LIG 1 6.362 -0.394 -2.333 0.00 0.00 -0.166 F ATOM 20 F LIG 1 8.056 0.580 -1.376 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 -2.730 0.079 0.072 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -2.910 1.081 1.290 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -4.362 1.167 0.922 0.00 0.00 +0.020 C ATOM 24 C LIG 1 -5.125 2.438 1.106 0.00 0.00 +0.169 C ATOM 25 O LIG 1 -6.227 1.698 1.711 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 -5.398 0.495 1.775 0.00 0.00 +0.169 C ATOM 27 C LIG 1 -4.106 0.645 -0.467 0.00 0.00 +0.030 C BRANCH 21 30 ATOM 28 C LIG 1 -2.646 -2.641 -1.698 0.00 0.00 +0.151 C ATOM 29 N LIG 1 -2.838 -2.562 -0.277 0.00 0.00 -0.320 N ATOM 30 C LIG 1 -2.877 -1.446 0.513 0.00 0.00 +0.144 A ATOM 31 N LIG 1 -3.114 -1.819 1.755 0.00 0.00 -0.134 NA ATOM 32 N LIG 1 -3.221 -3.188 1.780 0.00 0.00 -0.138 NA ATOM 33 C LIG 1 -3.046 -3.620 0.554 0.00 0.00 +0.224 A ENDBRANCH 21 30 ENDBRANCH 1 21 TORSDOF 4