REMARK Name = BDB047363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.725 0.762 3.308 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.930 1.233 2.496 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 2.432 0.122 1.752 0.00 0.00 -0.492 OA BRANCH 3 5 ATOM 4 C LIG 1 3.889 -0.760 0.131 0.00 0.00 -0.005 A ATOM 5 C LIG 1 3.488 0.341 0.909 0.00 0.00 +0.124 A ATOM 6 C LIG 1 4.172 1.553 0.789 0.00 0.00 +0.047 A ATOM 7 C LIG 1 5.243 1.680 -0.102 0.00 0.00 +0.018 A ATOM 8 C LIG 1 5.638 0.601 -0.893 0.00 0.00 +0.017 A ATOM 9 C LIG 1 4.968 -0.618 -0.762 0.00 0.00 +0.022 A BRANCH 4 10 ATOM 10 C LIG 1 3.193 -2.100 0.236 0.00 0.00 +0.038 C BRANCH 10 12 ATOM 11 C LIG 1 5.026 -3.381 1.464 0.00 0.00 +0.004 C ATOM 12 C LIG 1 3.580 -2.906 1.481 0.00 0.00 +0.001 C ENDBRANCH 10 12 ENDBRANCH 4 10 BRANCH 8 13 ATOM 13 S LIG 1 7.012 0.725 -2.018 0.00 0.00 -0.016 S BRANCH 13 14 ATOM 14 C LIG 1 6.330 1.898 -3.193 0.00 0.00 +0.448 C ATOM 15 F LIG 1 5.147 1.479 -3.702 0.00 0.00 -0.160 F ATOM 16 F LIG 1 7.173 2.076 -4.239 0.00 0.00 -0.160 F ATOM 17 F LIG 1 6.129 3.116 -2.635 0.00 0.00 -0.160 F ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.443 0.336 2.420 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 -0.925 1.485 1.724 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 -1.958 1.295 0.846 0.00 0.00 +0.121 A ATOM 21 C LIG 1 -2.605 0.082 0.594 0.00 0.00 +0.053 A ATOM 22 C LIG 1 -3.640 0.066 -0.330 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.462 -1.075 -0.793 0.00 0.00 +0.098 C ATOM 24 C LIG 1 -5.456 -0.351 -1.734 0.00 0.00 +0.210 C ATOM 25 O LIG 1 -5.060 1.041 -1.864 0.00 0.00 -0.474 OA ATOM 26 C LIG 1 -4.025 1.216 -0.992 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -3.404 2.424 -0.765 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -2.361 2.458 0.165 0.00 0.00 +0.049 A BRANCH 24 29 ATOM 29 C LIG 1 -5.426 -1.046 -3.102 0.00 0.00 +0.349 C ATOM 30 O LIG 1 -5.410 -2.255 -3.290 0.00 0.00 -0.246 OA BRANCH 29 31 ATOM 31 O LIG 1 -5.471 -0.210 -4.159 0.00 0.00 -0.478 OA ATOM 32 H LIG 1 -5.449 -0.796 -4.943 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 24 29 BRANCH 24 33 ATOM 33 C LIG 1 -6.918 -0.403 -1.238 0.00 0.00 +0.057 C ATOM 34 C LIG 1 -7.177 0.329 0.074 0.00 0.00 +0.008 C ENDBRANCH 24 33 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 13