REMARK Name = BDB057130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.448 -0.030 0.527 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.071 -0.112 0.416 0.00 0.00 -0.034 A ATOM 3 C LIG 1 1.666 -0.325 -0.836 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.058 -0.382 -0.968 0.00 0.00 +0.009 A ATOM 5 C LIG 1 3.899 -0.227 0.144 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.300 -0.013 1.394 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.909 0.045 1.530 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 5.363 -0.287 0.003 0.00 0.00 -0.018 A ATOM 9 C LIG 1 5.986 -1.385 -0.613 0.00 0.00 +0.009 A ATOM 10 C LIG 1 7.377 -1.444 -0.748 0.00 0.00 +0.013 A ATOM 11 C LIG 1 8.184 -0.401 -0.277 0.00 0.00 +0.055 A ATOM 12 C LIG 1 7.572 0.695 0.347 0.00 0.00 +0.013 A ATOM 13 C LIG 1 6.180 0.750 0.481 0.00 0.00 +0.009 A BRANCH 11 14 ATOM 14 C LIG 1 9.686 -0.475 -0.403 0.00 0.00 +0.417 C ATOM 15 F LIG 1 10.262 -1.126 0.645 0.00 0.00 -0.166 F ATOM 16 F LIG 1 10.096 -1.134 -1.523 0.00 0.00 -0.166 F ATOM 17 F LIG 1 10.282 0.749 -0.455 0.00 0.00 -0.166 F ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 S LIG 1 -1.069 -1.358 1.663 0.00 0.00 -0.117 S BRANCH 18 24 ATOM 19 C LIG 1 -6.169 -0.747 2.795 0.00 0.00 +0.047 C ATOM 20 C LIG 1 -5.131 -1.120 1.771 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -5.503 -1.500 0.470 0.00 0.00 +0.124 A ATOM 22 C LIG 1 -4.519 -1.868 -0.451 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -3.167 -1.826 -0.094 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -2.785 -1.416 1.184 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.770 -1.081 2.116 0.00 0.00 +0.021 A BRANCH 21 26 ATOM 26 O LIG 1 -6.851 -1.537 0.220 0.00 0.00 -0.481 OA BRANCH 26 27 ATOM 27 C LIG 1 -7.272 -1.426 -1.140 0.00 0.00 +0.349 C BRANCH 27 28 ATOM 28 C LIG 1 -7.496 -2.788 -1.778 0.00 0.00 +0.343 C ATOM 29 O LIG 1 -7.670 -2.961 -2.975 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -7.505 -3.805 -0.882 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -7.329 -3.466 0.023 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 1 32 ATOM 32 C LIG 1 -0.935 1.359 0.996 0.00 0.00 +0.054 C BRANCH 32 33 ATOM 33 C LIG 1 -0.807 2.411 -0.087 0.00 0.00 -0.046 A ATOM 34 C LIG 1 0.335 3.218 -0.169 0.00 0.00 +0.004 A ATOM 35 C LIG 1 0.456 4.168 -1.184 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -0.560 4.319 -2.125 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.700 3.520 -2.054 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -1.823 2.569 -1.040 0.00 0.00 +0.004 A ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 11