REMARK Name = BDB057132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.344 2.593 -0.068 0.00 0.00 +0.086 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.208 1.335 -0.060 0.00 0.00 -0.034 A ATOM 3 C LIG 1 0.997 0.273 0.831 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.795 -0.876 0.780 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.828 -1.004 -0.159 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.040 0.061 -1.046 0.00 0.00 +0.009 A ATOM 7 C LIG 1 2.244 1.210 -0.999 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 C LIG 1 3.658 -2.218 -0.215 0.00 0.00 -0.017 A ATOM 9 C LIG 1 4.316 -2.699 0.929 0.00 0.00 +0.021 A ATOM 10 C LIG 1 5.114 -3.856 0.888 0.00 0.00 +0.055 A ATOM 11 C LIG 1 5.240 -4.550 -0.323 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.595 -4.088 -1.469 0.00 0.00 +0.001 A ATOM 13 C LIG 1 3.814 -2.932 -1.414 0.00 0.00 +0.008 A BRANCH 10 14 ATOM 14 C LIG 1 5.791 -4.358 2.139 0.00 0.00 +0.417 C ATOM 15 F LIG 1 6.226 -3.353 2.949 0.00 0.00 -0.166 F ATOM 16 F LIG 1 4.963 -5.121 2.903 0.00 0.00 -0.166 F ATOM 17 F LIG 1 6.885 -5.130 1.887 0.00 0.00 -0.166 F ENDBRANCH 10 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 S LIG 1 -0.922 2.560 -1.427 0.00 0.00 -0.117 S BRANCH 18 24 ATOM 19 C LIG 1 -1.562 -2.661 -1.780 0.00 0.00 +0.047 C ATOM 20 C LIG 1 -2.089 -1.347 -1.273 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -3.270 -1.282 -0.517 0.00 0.00 +0.124 A ATOM 22 C LIG 1 -3.744 -0.042 -0.080 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -3.024 1.125 -0.356 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -1.827 1.069 -1.067 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -1.382 -0.165 -1.549 0.00 0.00 +0.021 A BRANCH 21 26 ATOM 26 O LIG 1 -3.919 -2.473 -0.315 0.00 0.00 -0.481 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.789 -2.563 0.815 0.00 0.00 +0.349 C BRANCH 27 28 ATOM 28 C LIG 1 -6.237 -2.294 0.436 0.00 0.00 +0.343 C ATOM 29 O LIG 1 -7.140 -2.152 1.246 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -6.441 -2.246 -0.903 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -5.592 -2.364 -1.383 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 -0.258 2.978 1.307 0.00 0.00 +0.060 C BRANCH 32 33 ATOM 33 C LIG 1 -0.813 4.380 1.391 0.00 0.00 +0.024 A ATOM 34 C LIG 1 0.014 5.495 1.239 0.00 0.00 +0.129 A ATOM 35 F LIG 1 1.326 5.327 1.024 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -0.487 6.794 1.315 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -1.843 7.000 1.558 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -2.684 5.902 1.729 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.165 4.610 1.650 0.00 0.00 +0.129 A ATOM 40 F LIG 1 -2.998 3.577 1.840 0.00 0.00 -0.205 F ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 11