REMARK Name = BDB057733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.125 1.930 -0.155 0.00 0.00 +0.152 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.179 2.653 0.665 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -2.346 4.040 0.534 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -3.301 4.729 1.291 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -4.107 4.040 2.199 0.00 0.00 +0.130 A ATOM 6 C LIG 1 -3.940 2.660 2.344 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -2.987 1.973 1.587 0.00 0.00 +0.010 A BRANCH 5 8 ATOM 8 O LIG 1 -5.073 4.579 2.999 0.00 0.00 -0.406 OA BRANCH 8 9 ATOM 9 C LIG 1 -5.379 5.952 2.828 0.00 0.00 +0.575 C ATOM 10 F LIG 1 -5.760 6.215 1.559 0.00 0.00 -0.133 F ATOM 11 F LIG 1 -4.324 6.729 3.154 0.00 0.00 -0.133 F ATOM 12 F LIG 1 -6.405 6.274 3.648 0.00 0.00 -0.133 F ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 13 C LIG 1 1.464 1.674 -0.142 0.00 0.00 +0.025 C ATOM 14 C LIG 1 0.160 1.843 0.617 0.00 0.00 +0.030 C ATOM 15 C LIG 1 1.178 2.954 0.608 0.00 0.00 +0.015 C BRANCH 13 22 ATOM 16 C LIG 1 6.202 0.667 1.235 0.00 0.00 +0.047 C ATOM 17 C LIG 1 4.808 0.164 0.993 0.00 0.00 -0.008 A ATOM 18 C LIG 1 4.458 -1.188 1.129 0.00 0.00 +0.128 A ATOM 19 C LIG 1 3.123 -1.595 0.991 0.00 0.00 -0.008 A ATOM 20 C LIG 1 2.682 -3.011 1.221 0.00 0.00 +0.047 C ATOM 21 C LIG 1 2.167 -0.652 0.577 0.00 0.00 +0.011 A ATOM 22 C LIG 1 2.495 0.694 0.355 0.00 0.00 -0.043 A ATOM 23 C LIG 1 3.824 1.079 0.579 0.00 0.00 +0.011 A BRANCH 18 24 ATOM 24 O LIG 1 5.407 -2.111 1.476 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 6.143 -2.736 0.387 0.00 0.00 +0.200 C ATOM 26 C LIG 1 5.957 -4.252 0.530 0.00 0.00 +0.067 C ATOM 27 C LIG 1 5.796 -2.309 -1.049 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 7.634 -2.458 0.659 0.00 0.00 +0.348 C ATOM 29 O LIG 1 8.531 -2.562 -0.165 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 7.883 -2.118 1.954 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 7.035 -2.067 2.443 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 18 24 ENDBRANCH 13 22 ENDBRANCH 1 14 BRANCH 1 32 ATOM 32 O LIG 1 -1.560 0.594 -0.421 0.00 0.00 -0.372 OA BRANCH 32 33 ATOM 33 C LIG 1 -1.643 0.300 -1.811 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 C LIG 1 -2.195 -1.114 -1.986 0.00 0.00 +0.031 C BRANCH 34 35 ATOM 35 C LIG 1 -3.592 -1.327 -1.361 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -4.034 -2.800 -1.491 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.958 -3.028 -2.681 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -6.240 -2.196 -2.571 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -6.051 -0.883 -1.811 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -4.630 -0.352 -1.951 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 13