REMARK Name = BDB004408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 -1.810 -0.882 0.00 0.00 +0.063 A ATOM 2 C LIG 1 -1.883 -1.085 -0.854 0.00 0.00 +0.082 A ATOM 3 C LIG 1 -2.709 -1.186 -1.985 0.00 0.00 +0.180 A ATOM 4 F LIG 1 -3.900 -0.568 -2.025 0.00 0.00 -0.201 F ATOM 5 C LIG 1 -2.349 -1.970 -3.081 0.00 0.00 +0.160 A ATOM 6 F LIG 1 -3.163 -2.051 -4.143 0.00 0.00 -0.202 F ATOM 7 C LIG 1 -1.158 -2.683 -3.091 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -0.313 -2.610 -1.987 0.00 0.00 +0.018 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.217 -1.729 1.418 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 0.258 -1.756 0.287 0.00 0.00 +0.269 C ATOM 11 N LIG 1 1.600 -1.704 -0.028 0.00 0.00 -0.190 N ATOM 12 H LIG 1 1.906 -1.394 -0.943 0.00 0.00 +0.183 HD BRANCH 11 13 ATOM 13 O LIG 1 2.446 -1.426 1.076 0.00 0.00 -0.277 OA BRANCH 13 14 ATOM 14 C LIG 1 3.528 -0.583 0.659 0.00 0.00 +0.223 C BRANCH 14 15 ATOM 15 C LIG 1 4.366 -0.192 1.884 0.00 0.00 +0.168 C BRANCH 15 16 ATOM 16 O LIG 1 3.684 0.824 2.637 0.00 0.00 -0.387 OA ATOM 17 H LIG 1 3.713 1.631 2.089 0.00 0.00 +0.210 HD ENDBRANCH 15 16 BRANCH 15 18 ATOM 18 C LIG 1 5.731 0.367 1.475 0.00 0.00 +0.189 C BRANCH 18 19 ATOM 19 O LIG 1 5.548 1.498 0.621 0.00 0.00 -0.392 OA ATOM 20 H LIG 1 6.426 1.902 0.500 0.00 0.00 +0.210 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 10 BRANCH 2 21 ATOM 21 N LIG 1 -2.184 -0.262 0.254 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -1.776 -0.606 1.135 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.940 0.912 0.422 0.00 0.00 +0.067 A ATOM 24 C LIG 1 -3.426 1.232 1.702 0.00 0.00 +0.145 A ATOM 25 F LIG 1 -3.137 0.425 2.736 0.00 0.00 -0.204 F ATOM 26 C LIG 1 -4.202 2.363 1.944 0.00 0.00 +0.054 A ATOM 27 C LIG 1 -4.512 3.207 0.884 0.00 0.00 +0.016 A ATOM 28 I LIG 1 -5.667 4.901 1.212 0.00 0.00 -0.044 I ATOM 29 C LIG 1 -4.047 2.920 -0.400 0.00 0.00 +0.016 A ATOM 30 C LIG 1 -3.268 1.778 -0.625 0.00 0.00 +0.027 A ENDBRANCH 21 23 ENDBRANCH 2 21 TORSDOF 9