REMARK Name = BDB047678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.353 2.145 -0.943 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.513 0.908 -0.238 0.00 0.00 -0.491 OA BRANCH 2 11 ATOM 3 C LIG 1 -3.713 0.046 0.105 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -4.829 0.067 0.951 0.00 0.00 +0.174 A ATOM 5 C LIG 1 -4.945 0.828 2.102 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -6.236 0.504 2.605 0.00 0.00 +0.193 A ATOM 7 N LIG 1 -6.856 -0.384 1.809 0.00 0.00 -0.073 NA ATOM 8 C LIG 1 -3.873 1.651 2.484 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -2.732 1.671 1.671 0.00 0.00 +0.047 A ATOM 10 O LIG 1 -5.971 -0.655 0.781 0.00 0.00 -0.354 OA ATOM 11 C LIG 1 -2.668 0.900 0.504 0.00 0.00 +0.127 A BRANCH 6 12 ATOM 12 C LIG 1 -6.872 1.045 3.836 0.00 0.00 +0.438 C ATOM 13 F LIG 1 -7.094 2.385 3.738 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -8.068 0.474 4.135 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -6.078 0.873 4.929 0.00 0.00 -0.164 F ENDBRANCH 6 12 BRANCH 3 16 ATOM 16 C LIG 1 -3.636 -0.824 -1.121 0.00 0.00 +0.042 C BRANCH 16 18 ATOM 17 C LIG 1 -1.863 -2.485 -0.331 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -3.294 -2.285 -0.812 0.00 0.00 +0.001 C ENDBRANCH 16 18 ENDBRANCH 3 16 ENDBRANCH 2 11 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.243 1.976 -1.973 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.096 1.642 -1.322 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.073 1.535 -2.367 0.00 0.00 -0.491 OA BRANCH 21 22 ATOM 22 C LIG 1 3.308 1.242 -1.825 0.00 0.00 +0.130 A ATOM 23 C LIG 1 3.679 -0.075 -1.479 0.00 0.00 +0.041 A ATOM 24 C LIG 1 3.026 -1.339 -1.530 0.00 0.00 +0.031 A ATOM 25 C LIG 1 3.898 -2.285 -1.043 0.00 0.00 +0.087 A ATOM 26 N LIG 1 5.062 -1.646 -0.701 0.00 0.00 -0.336 N ATOM 27 C LIG 1 4.963 -0.295 -0.966 0.00 0.00 +0.053 A ATOM 28 C LIG 1 5.885 0.752 -0.799 0.00 0.00 +0.026 A ATOM 29 C LIG 1 5.497 2.042 -1.181 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.228 2.286 -1.697 0.00 0.00 +0.046 A BRANCH 26 31 ATOM 31 C LIG 1 6.218 -2.306 -0.111 0.00 0.00 +0.242 C BRANCH 31 32 ATOM 32 C LIG 1 6.404 -2.048 1.365 0.00 0.00 +0.325 C ATOM 33 O LIG 1 7.470 -2.270 1.930 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O LIG 1 5.330 -1.613 2.060 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 4.521 -1.434 1.539 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12