REMARK Name = BDB027007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.293 -0.484 -1.420 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.087 0.642 -0.962 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.259 1.001 -0.474 0.00 0.00 +0.044 A ATOM 4 C LIG 1 2.433 0.169 -0.480 0.00 0.00 +0.010 A ATOM 5 C LIG 1 3.479 0.902 0.077 0.00 0.00 +0.048 A ATOM 6 C LIG 1 4.778 0.389 0.226 0.00 0.00 +0.036 A ATOM 7 C LIG 1 5.051 -0.925 -0.206 0.00 0.00 +0.002 A ATOM 8 C LIG 1 3.998 -1.672 -0.757 0.00 0.00 +0.011 A ATOM 9 N LIG 1 2.972 2.131 0.423 0.00 0.00 -0.360 N ATOM 10 H LIG 1 3.507 2.868 0.862 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 2.704 -1.147 -0.903 0.00 0.00 +0.011 A ATOM 12 C LIG 1 1.645 2.206 0.092 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 6.401 -1.516 -0.081 0.00 0.00 +0.071 A ATOM 14 N LIG 1 6.441 -2.846 0.193 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 7.652 -3.432 0.319 0.00 0.00 +0.111 A ATOM 16 C LIG 1 8.852 -2.758 0.180 0.00 0.00 +0.020 A ATOM 17 C LIG 1 8.807 -1.401 -0.109 0.00 0.00 +0.004 A ATOM 18 C LIG 1 7.570 -0.772 -0.242 0.00 0.00 +0.028 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 -1.216 1.712 -0.856 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -1.712 1.973 0.562 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -1.749 0.965 1.539 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.229 1.233 2.822 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.685 2.509 3.146 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.664 3.518 2.187 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.184 3.253 0.903 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -2.331 1.487 -1.816 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.919 2.317 -1.830 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.153 0.299 -1.544 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.575 0.672 -1.094 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.394 -0.546 -0.739 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.076 -1.260 -1.736 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -6.818 -2.394 -1.405 0.00 0.00 +0.038 A ATOM 33 C LIG 1 -6.873 -2.816 -0.082 0.00 0.00 +0.123 A ATOM 34 F LIG 1 -7.586 -3.905 0.234 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.198 -2.126 0.918 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -5.456 -0.991 0.590 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8