REMARK Name = BDB009466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.604 2.014 0.773 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.058 3.248 0.318 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.283 4.029 -0.449 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -3.332 3.694 0.652 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.158 2.903 1.455 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.716 1.655 1.924 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.420 1.226 1.594 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 -0.789 1.352 -1.975 0.00 0.00 +0.132 C ATOM 9 N LIG 1 0.144 1.341 -0.853 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -0.236 1.557 0.474 0.00 0.00 +0.249 C ATOM 11 O LIG 1 0.502 1.382 1.440 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 1.555 1.067 -1.186 0.00 0.00 +0.079 C ATOM 13 C LIG 1 2.052 -0.274 -0.637 0.00 0.00 +0.041 C ATOM 14 C LIG 1 3.478 -0.549 -1.103 0.00 0.00 +0.113 C ATOM 15 N LIG 1 4.382 0.572 -0.854 0.00 0.00 -0.267 N ATOM 16 C LIG 1 5.757 0.379 -0.749 0.00 0.00 +0.403 C ATOM 17 O LIG 1 6.574 1.290 -0.793 0.00 0.00 -0.226 OA ATOM 18 C LIG 1 3.921 1.900 -1.241 0.00 0.00 +0.113 C ATOM 19 C LIG 1 2.504 2.195 -0.765 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 O LIG 1 6.083 -0.931 -0.601 0.00 0.00 -0.445 OA BRANCH 20 21 ATOM 21 C LIG 1 7.464 -1.350 -0.457 0.00 0.00 +0.107 C ATOM 22 C LIG 1 8.096 -0.766 0.811 0.00 0.00 +0.055 C ATOM 23 C LIG 1 8.281 -1.021 -1.711 0.00 0.00 +0.055 C ATOM 24 C LIG 1 7.391 -2.878 -0.309 0.00 0.00 +0.055 C ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 C LIG 1 -4.603 0.814 2.816 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.775 -0.618 2.322 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.751 -0.895 1.210 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -6.454 0.129 0.582 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.965 1.020 0.580 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -7.181 -0.135 -0.657 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -7.876 -1.490 -0.559 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.878 -2.600 -0.206 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.909 -2.182 0.866 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.108 -3.239 1.523 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -5.219 -4.420 1.211 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.228 -2.816 2.484 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -3.672 -3.526 2.950 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -4.058 -1.533 2.905 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6