REMARK Name = BDB057146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.146 -0.150 -0.399 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.579 0.342 -0.207 0.00 0.00 -0.034 A ATOM 3 C LIG 1 2.029 0.929 0.985 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.361 1.334 1.129 0.00 0.00 +0.009 A ATOM 5 C LIG 1 4.289 1.162 0.093 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.840 0.568 -1.095 0.00 0.00 +0.009 A ATOM 7 C LIG 1 2.509 0.163 -1.244 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 5.689 1.590 0.247 0.00 0.00 -0.018 A ATOM 9 C LIG 1 6.749 0.693 0.021 0.00 0.00 +0.011 A ATOM 10 C LIG 1 8.078 1.100 0.167 0.00 0.00 +0.039 A ATOM 11 C LIG 1 8.356 2.408 0.541 0.00 0.00 +0.123 A ATOM 12 F LIG 1 9.630 2.798 0.681 0.00 0.00 -0.205 F ATOM 13 C LIG 1 7.332 3.316 0.772 0.00 0.00 +0.039 A ATOM 14 C LIG 1 6.004 2.908 0.626 0.00 0.00 +0.011 A ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 S LIG 1 -1.103 1.051 0.254 0.00 0.00 -0.117 S BRANCH 15 21 ATOM 16 C LIG 1 -3.978 -0.153 -4.030 0.00 0.00 +0.047 C ATOM 17 C LIG 1 -3.892 -0.059 -2.531 0.00 0.00 -0.008 A ATOM 18 C LIG 1 -4.997 -0.392 -1.726 0.00 0.00 +0.124 A ATOM 19 C LIG 1 -4.894 -0.272 -0.339 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -3.703 0.173 0.247 0.00 0.00 +0.018 A ATOM 21 C LIG 1 -2.595 0.485 -0.541 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -2.703 0.388 -1.930 0.00 0.00 +0.021 A BRANCH 18 23 ATOM 23 O LIG 1 -6.109 -0.817 -2.403 0.00 0.00 -0.481 OA BRANCH 23 24 ATOM 24 C LIG 1 -7.311 -1.021 -1.677 0.00 0.00 +0.349 C BRANCH 24 25 ATOM 25 C LIG 1 -8.002 0.240 -1.188 0.00 0.00 +0.343 C ATOM 26 O LIG 1 -8.461 0.414 -0.069 0.00 0.00 -0.247 OA BRANCH 25 27 ATOM 27 O LIG 1 -8.113 1.197 -2.131 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 -8.553 1.944 -1.675 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 15 21 ENDBRANCH 1 15 BRANCH 1 29 ATOM 29 C LIG 1 -0.058 -1.604 0.097 0.00 0.00 +0.054 C BRANCH 29 30 ATOM 30 C LIG 1 0.130 -1.877 1.574 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -0.956 -1.810 2.460 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -0.771 -2.062 3.820 0.00 0.00 +0.162 A ATOM 33 F LIG 1 -1.824 -1.990 4.645 0.00 0.00 -0.202 F ATOM 34 C LIG 1 0.483 -2.385 4.316 0.00 0.00 +0.193 A ATOM 35 F LIG 1 0.651 -2.626 5.624 0.00 0.00 -0.199 F ATOM 36 C LIG 1 1.561 -2.462 3.446 0.00 0.00 +0.162 A ATOM 37 F LIG 1 2.778 -2.778 3.909 0.00 0.00 -0.202 F ATOM 38 C LIG 1 1.394 -2.215 2.084 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 10