REMARK Name = BDB038358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.717 -1.272 0.536 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -1.824 -2.552 -0.023 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.700 -3.212 -0.541 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.552 -2.574 -0.494 0.00 0.00 +0.036 A ATOM 5 C LIG 1 0.702 -1.296 0.054 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.441 -0.677 0.584 0.00 0.00 +0.032 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 1.954 -0.623 0.067 0.00 0.00 -0.263 N ATOM 8 C LIG 1 3.174 -1.123 -0.397 0.00 0.00 +0.251 C ATOM 9 O LIG 1 3.465 -2.205 -0.873 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.171 -0.060 -0.216 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.518 -0.081 -0.526 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.257 1.072 -0.263 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.637 2.204 0.298 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.265 2.209 0.616 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.543 1.050 0.340 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.093 0.751 0.547 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.602 3.430 1.198 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.485 4.314 1.740 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.895 4.125 0.269 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.726 3.125 2.194 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 21 C LIG 1 -3.264 0.748 0.635 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.909 -0.561 1.051 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -3.725 -1.192 2.011 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.846 -0.554 2.547 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.174 0.735 2.142 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.384 1.385 1.195 0.00 0.00 +0.012 A BRANCH 21 29 ATOM 27 C LIG 1 -3.231 0.260 -2.441 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -2.470 1.238 -1.712 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.492 1.486 -0.362 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -1.671 2.492 -0.116 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -1.086 2.876 -1.300 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -1.580 2.116 -2.248 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 3 33 ATOM 33 C LIG 1 -0.820 -4.597 -1.126 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -0.073 -4.770 -2.251 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -0.430 -5.567 -0.255 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.098 -4.912 -1.485 0.00 0.00 -0.166 F ENDBRANCH 3 33 TORSDOF 5