REMARK Name = BDB065133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.109 1.242 2.200 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -1.579 -0.100 1.600 0.00 0.00 -0.005 C ATOM 3 C LIG 1 -2.041 -0.067 0.091 0.00 0.00 -0.025 C ATOM 4 C LIG 1 -1.064 0.755 -0.773 0.00 0.00 +0.012 C ATOM 5 C LIG 1 -2.170 -1.567 -0.444 0.00 0.00 +0.014 C ATOM 6 C LIG 1 -0.950 -2.527 -0.186 0.00 0.00 +0.092 C ATOM 7 C LIG 1 -1.495 -3.936 -0.534 0.00 0.00 +0.145 C ATOM 8 C LIG 1 -1.994 -4.133 -1.952 0.00 0.00 +0.075 C ATOM 9 C LIG 1 -3.098 -3.136 -2.240 0.00 0.00 +0.008 C ATOM 10 O LIG 1 -1.550 -4.867 0.267 0.00 0.00 -0.297 OA ATOM 11 C LIG 1 -0.605 -2.486 1.319 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -2.692 -1.699 -1.906 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -0.420 -1.076 1.867 0.00 0.00 +0.036 C ENDROOT BRANCH 11 14 ATOM 14 O LIG 1 0.591 -3.216 1.615 0.00 0.00 -0.391 OA ATOM 15 H LIG 1 1.337 -2.756 1.193 0.00 0.00 +0.210 HD ENDBRANCH 11 14 BRANCH 3 16 ATOM 16 C LIG 1 -3.480 0.577 -0.064 0.00 0.00 +0.011 C BRANCH 16 17 ATOM 17 C LIG 1 -3.789 1.927 0.590 0.00 0.00 +0.035 C BRANCH 17 18 ATOM 18 C LIG 1 -5.092 2.495 0.118 0.00 0.00 -0.026 C ATOM 19 C LIG 1 -6.394 1.868 0.435 0.00 0.00 +0.264 C ATOM 20 O LIG 1 -7.356 2.728 -0.174 0.00 0.00 -0.457 OA ATOM 21 C LIG 1 -6.712 3.757 -0.788 0.00 0.00 +0.332 C ATOM 22 O LIG 1 -7.238 4.665 -1.404 0.00 0.00 -0.246 OA ATOM 23 C LIG 1 -5.271 3.606 -0.594 0.00 0.00 +0.094 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 3 16 BRANCH 6 24 ATOM 24 C LIG 1 0.285 -2.331 -1.115 0.00 0.00 +0.249 C BRANCH 24 25 ATOM 25 O LIG 1 1.357 -1.602 -0.495 0.00 0.00 -0.460 OA BRANCH 25 26 ATOM 26 C LIG 1 2.372 -1.273 -1.337 0.00 0.00 +0.332 C ATOM 27 O LIG 1 2.438 -1.538 -2.525 0.00 0.00 -0.246 OA BRANCH 26 28 ATOM 28 C LIG 1 3.383 -0.529 -0.562 0.00 0.00 +0.092 C ATOM 29 C LIG 1 4.496 -0.090 -1.169 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 5.551 0.674 -0.490 0.00 0.00 -0.025 A ATOM 31 C LIG 1 5.951 0.398 0.823 0.00 0.00 +0.008 A ATOM 32 C LIG 1 6.978 1.133 1.424 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.638 2.150 0.718 0.00 0.00 +0.055 A ATOM 34 C LIG 1 7.241 2.420 -0.599 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.215 1.683 -1.198 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 8.730 2.958 1.375 0.00 0.00 +0.417 C ATOM 37 F LIG 1 9.655 3.427 0.490 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.243 4.052 2.022 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.431 2.253 2.306 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 10