REMARK Name = BDB038949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.322 -1.151 -1.422 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.067 -1.572 -1.018 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.004 -0.576 -0.999 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.742 -1.012 -0.297 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.600 -2.310 0.248 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.431 -2.678 0.929 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.354 -1.797 1.062 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.491 -0.529 0.485 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.355 0.562 0.382 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.365 1.605 -0.172 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.540 1.166 -0.586 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.750 -3.283 0.159 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.652 -0.129 -0.163 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.663 -2.973 -1.024 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.620 0.022 -1.619 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.032 3.057 -0.265 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.296 3.695 1.103 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.487 5.212 0.998 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.111 5.665 -0.324 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.969 4.578 -0.956 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.148 3.329 -1.282 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.505 -1.783 -1.986 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.197 -2.183 -1.577 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.747 0.552 0.809 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -2.622 -0.466 0.052 0.00 0.00 +0.151 C BRANCH 25 26 ATOM 26 C LIG 1 -3.902 -0.792 0.831 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -4.271 -2.131 1.095 0.00 0.00 +0.126 A ATOM 28 C LIG 1 -5.444 -2.406 1.810 0.00 0.00 +0.068 A ATOM 29 C LIG 1 -6.261 -1.363 2.252 0.00 0.00 +0.080 A ATOM 30 CL LIG 1 -7.694 -1.727 3.134 0.00 0.00 -0.080 Cl ATOM 31 C LIG 1 -5.911 -0.047 1.981 0.00 0.00 +0.142 A ATOM 32 F LIG 1 -6.683 0.969 2.394 0.00 0.00 -0.204 F ATOM 33 C LIG 1 -4.747 0.243 1.277 0.00 0.00 +0.048 A BRANCH 27 34 ATOM 34 O LIG 1 -3.412 -3.093 0.634 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -3.859 -4.445 0.667 0.00 0.00 +0.277 C ENDBRANCH 27 34 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -2.922 0.045 -1.349 0.00 0.00 +0.314 C ATOM 37 O LIG 1 -3.910 0.699 -1.652 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -1.962 -0.243 -2.259 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -1.181 -0.734 -1.931 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8