REMARK Name = BDB048600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.319 0.305 0.451 0.00 0.00 -0.037 A ATOM 2 C LIG 1 1.088 1.460 0.264 0.00 0.00 +0.008 A ATOM 3 C LIG 1 2.479 1.374 0.173 0.00 0.00 +0.046 A ATOM 4 C LIG 1 3.127 0.140 0.258 0.00 0.00 +0.121 A ATOM 5 C LIG 1 2.367 -1.016 0.436 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.972 -0.933 0.530 0.00 0.00 +0.008 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -1.183 0.388 0.539 0.00 0.00 +0.109 C BRANCH 7 8 ATOM 8 S LIG 1 -1.962 0.160 -1.091 0.00 0.00 -0.120 S BRANCH 8 15 ATOM 9 C LIG 1 -6.398 0.563 0.154 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -5.749 -0.664 0.207 0.00 0.00 -0.001 A ATOM 11 C LIG 1 -6.340 -1.994 0.573 0.00 0.00 +0.039 C ATOM 12 C LIG 1 -5.079 -2.823 0.833 0.00 0.00 +0.009 C ATOM 13 C LIG 1 -3.982 -2.243 -0.068 0.00 0.00 +0.037 C ATOM 14 C LIG 1 -4.399 -0.804 -0.159 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -3.663 0.289 -0.593 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -4.313 1.527 -0.659 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -5.665 1.664 -0.290 0.00 0.00 +0.047 A BRANCH 9 18 ATOM 18 O LIG 1 -7.712 0.561 0.516 0.00 0.00 -0.481 OA BRANCH 18 19 ATOM 19 C LIG 1 -8.319 1.804 0.826 0.00 0.00 +0.349 C BRANCH 19 21 ATOM 20 O LIG 1 -8.820 2.267 -1.529 0.00 0.00 -0.247 OA ATOM 21 C LIG 1 -8.900 2.584 -0.353 0.00 0.00 +0.343 C BRANCH 21 22 ATOM 22 O LIG 1 -9.530 3.723 0.036 0.00 0.00 -0.478 OA ATOM 23 H LIG 1 -9.549 3.871 1.000 0.00 0.00 +0.295 HD ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 O LIG 1 4.488 0.203 0.152 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 5.198 -1.032 0.176 0.00 0.00 +0.264 C BRANCH 25 26 ATOM 26 C LIG 1 6.667 -0.727 0.008 0.00 0.00 -0.010 A ATOM 27 C LIG 1 7.491 -0.549 1.127 0.00 0.00 +0.007 A ATOM 28 C LIG 1 8.847 -0.250 0.968 0.00 0.00 +0.013 A ATOM 29 C LIG 1 9.401 -0.108 -0.312 0.00 0.00 +0.055 A ATOM 30 C LIG 1 8.574 -0.282 -1.431 0.00 0.00 +0.013 A ATOM 31 C LIG 1 7.218 -0.581 -1.272 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 10.869 0.195 -0.483 0.00 0.00 +0.417 C ATOM 33 F LIG 1 11.148 0.881 -1.627 0.00 0.00 -0.166 F ATOM 34 F LIG 1 11.383 0.945 0.532 0.00 0.00 -0.166 F ATOM 35 F LIG 1 11.628 -0.935 -0.532 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 11