REMARK Name = BDB009510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.869 -0.061 -0.024 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.608 -0.531 1.261 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.447 -0.085 1.959 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.440 -1.481 1.843 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.559 -1.945 1.148 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.862 -1.451 -0.131 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.000 -0.512 -0.717 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.229 0.607 -0.887 0.00 0.00 +0.076 C ATOM 9 C LIG 1 3.531 1.963 -0.763 0.00 0.00 +0.041 C ATOM 10 C LIG 1 2.116 1.902 -1.326 0.00 0.00 +0.110 C ATOM 11 N LIG 1 1.347 0.812 -0.731 0.00 0.00 -0.297 N ATOM 12 C LIG 1 -0.036 0.988 -0.638 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.623 1.989 -1.047 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.979 -0.509 -0.796 0.00 0.00 +0.110 C ATOM 15 C LIG 1 3.387 -0.483 -0.217 0.00 0.00 +0.041 C BRANCH 8 18 ATOM 16 O LIG 1 6.397 -1.065 -1.569 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 6.550 -0.232 -0.681 0.00 0.00 +0.246 C ATOM 18 N LIG 1 5.566 0.660 -0.304 0.00 0.00 -0.308 N ATOM 19 H LIG 1 5.747 1.360 0.403 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 20 C LIG 1 7.852 -0.136 0.017 0.00 0.00 +0.055 A ATOM 21 C LIG 1 7.969 0.304 1.329 0.00 0.00 +0.123 A ATOM 22 N LIG 1 9.148 0.404 1.992 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 10.257 0.026 1.318 0.00 0.00 +0.111 A ATOM 24 C LIG 1 10.242 -0.447 0.016 0.00 0.00 +0.020 A ATOM 25 C LIG 1 9.017 -0.532 -0.642 0.00 0.00 +0.016 A ENDBRANCH 17 20 ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C LIG 1 -4.086 -1.933 -0.878 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.380 -1.748 -0.094 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -6.031 -0.391 -0.069 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.452 0.710 -0.691 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -4.436 0.675 -0.732 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -5.957 2.054 -0.422 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -7.482 2.020 -0.364 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.974 0.982 0.654 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -7.203 -0.307 0.580 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.766 -1.490 1.267 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.828 -1.437 1.880 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.026 -2.640 1.190 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.402 -3.463 1.650 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.856 -2.796 0.513 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5