REMARK Name = BDB046425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.347 0.145 0.374 0.00 0.00 +0.132 A ATOM 2 C LIG 1 -2.097 -0.714 -0.461 0.00 0.00 +0.001 A ATOM 3 C LIG 1 -1.598 -2.029 -0.623 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -0.466 -2.527 0.055 0.00 0.00 -0.041 A ATOM 5 C LIG 1 0.163 -1.669 0.961 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -0.260 -0.341 1.137 0.00 0.00 +0.020 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.429 -0.297 -1.136 0.00 0.00 -0.009 C ATOM 8 C LIG 1 -3.213 0.824 -2.170 0.00 0.00 +0.015 C ATOM 9 C LIG 1 -4.442 0.173 -0.065 0.00 0.00 +0.015 C ATOM 10 C LIG 1 -4.131 -1.453 -1.899 0.00 0.00 +0.015 C ENDBRANCH 2 7 BRANCH 4 11 ATOM 11 C LIG 1 0.009 -3.973 -0.185 0.00 0.00 -0.013 C ATOM 12 C LIG 1 0.318 -4.177 -1.685 0.00 0.00 +0.015 C ATOM 13 C LIG 1 1.291 -4.348 0.593 0.00 0.00 +0.015 C ATOM 14 C LIG 1 -1.096 -4.960 0.247 0.00 0.00 +0.015 C ENDBRANCH 4 11 BRANCH 6 15 ATOM 15 C LIG 1 0.416 0.457 2.194 0.00 0.00 -0.040 C ATOM 16 C LIG 1 1.716 0.818 2.157 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -0.463 0.820 3.364 0.00 0.00 +0.044 C BRANCH 16 18 ATOM 18 C LIG 1 2.657 0.560 1.082 0.00 0.00 +0.001 C ATOM 19 C LIG 1 3.954 0.903 1.153 0.00 0.00 +0.012 C BRANCH 19 20 ATOM 20 C LIG 1 4.975 0.673 0.121 0.00 0.00 +0.062 C ATOM 21 C LIG 1 6.259 0.919 0.456 0.00 0.00 +0.103 C BRANCH 20 22 ATOM 22 C LIG 1 4.539 0.200 -1.256 0.00 0.00 +0.418 C ATOM 23 F LIG 1 3.434 0.871 -1.686 0.00 0.00 -0.166 F ATOM 24 F LIG 1 4.223 -1.118 -1.264 0.00 0.00 -0.166 F ATOM 25 F LIG 1 5.468 0.406 -2.222 0.00 0.00 -0.166 F ENDBRANCH 20 22 BRANCH 21 26 ATOM 26 C LIG 1 7.386 0.594 -0.430 0.00 0.00 +0.330 C ATOM 27 O LIG 1 7.582 -0.514 -0.891 0.00 0.00 -0.246 OA BRANCH 26 28 ATOM 28 O LIG 1 8.185 1.658 -0.622 0.00 0.00 -0.478 OA ATOM 29 H LIG 1 7.854 2.496 -0.250 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 21 26 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 6 15 BRANCH 1 30 ATOM 30 O LIG 1 -1.734 1.458 0.508 0.00 0.00 -0.491 OA BRANCH 30 31 ATOM 31 C LIG 1 -0.817 2.358 -0.134 0.00 0.00 +0.229 C BRANCH 31 32 ATOM 32 C LIG 1 -1.098 3.780 0.351 0.00 0.00 +0.041 C BRANCH 32 34 ATOM 33 C LIG 1 -2.742 5.687 0.449 0.00 0.00 +0.004 C ATOM 34 C LIG 1 -2.498 4.265 -0.030 0.00 0.00 -0.000 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 12