REMARK Name = BDB032141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.343 0.167 0.395 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -3.372 0.845 -0.328 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -3.354 2.018 -0.646 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.327 -0.131 -0.655 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -2.738 -1.370 -0.177 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -1.927 -2.466 -0.352 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -0.704 -2.318 -1.009 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.297 -1.058 -1.506 0.00 0.00 -0.007 A ATOM 9 F LIG 1 -2.300 -3.666 0.109 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -1.125 0.060 -1.315 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.075 -1.267 0.463 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 -9.710 0.667 1.385 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -8.506 0.780 1.172 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -7.996 0.648 -0.095 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.671 0.372 -0.795 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.687 0.360 -0.410 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -6.411 -0.178 -1.480 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -5.653 0.752 0.660 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -6.194 0.374 2.035 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -7.516 1.089 2.271 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 1.035 -0.908 -2.196 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 2.002 -0.579 -1.195 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 3.263 -0.443 -1.681 0.00 0.00 +0.405 C ATOM 24 N LIG 1 4.084 -0.121 -0.637 0.00 0.00 -0.251 N ATOM 25 H LIG 1 3.599 -0.048 0.247 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 3.562 -0.596 -2.854 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 5.470 0.116 -0.659 0.00 0.00 +0.043 A ATOM 28 C LIG 1 6.087 0.433 0.560 0.00 0.00 +0.069 A ATOM 29 C LIG 1 7.465 0.684 0.640 0.00 0.00 +0.134 A ATOM 30 C LIG 1 8.232 0.618 -0.519 0.00 0.00 +0.084 A ATOM 31 C LIG 1 7.616 0.304 -1.728 0.00 0.00 +0.129 A ATOM 32 F LIG 1 8.362 0.242 -2.839 0.00 0.00 -0.205 F ATOM 33 C LIG 1 6.250 0.053 -1.811 0.00 0.00 +0.062 A BRANCH 29 34 ATOM 34 O LIG 1 7.913 0.977 1.897 0.00 0.00 -0.406 OA BRANCH 34 35 ATOM 35 C LIG 1 9.296 1.247 2.062 0.00 0.00 +0.575 C ATOM 36 F LIG 1 10.043 0.182 1.705 0.00 0.00 -0.133 F ATOM 37 F LIG 1 9.668 2.325 1.340 0.00 0.00 -0.133 F ATOM 38 F LIG 1 9.532 1.510 3.366 0.00 0.00 -0.133 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7