REMARK Name = BDB009469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.065 1.441 -1.204 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.478 0.632 -2.256 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.767 0.292 -2.400 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.450 0.146 -3.170 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.803 0.468 -3.026 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.234 1.282 -1.965 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.281 1.795 -1.070 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -1.914 2.735 -0.686 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.066 1.954 -0.259 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.013 1.545 1.078 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -2.131 1.963 1.921 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.444 1.228 1.586 0.00 0.00 +0.126 C ATOM 13 N LIG 1 -3.308 -0.215 1.322 0.00 0.00 -0.299 N ATOM 14 C LIG 1 -3.923 -0.905 0.267 0.00 0.00 +0.233 C ATOM 15 O LIG 1 -3.671 -2.101 0.079 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -2.322 -0.955 2.113 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -0.943 -0.936 1.449 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -0.229 0.410 1.575 0.00 0.00 +0.109 C BRANCH 14 19 ATOM 19 C LIG 1 -4.913 -0.129 -0.648 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -5.319 -0.918 -1.849 0.00 0.00 -0.296 NA ATOM 21 H LIG 1 -5.772 -0.277 -2.498 0.00 0.00 +0.123 HD ATOM 22 C LIG 1 -6.332 -1.872 -1.413 0.00 0.00 +0.151 C ATOM 23 S LIG 1 -7.403 -1.012 -0.246 0.00 0.00 -0.143 S ATOM 24 C LIG 1 -6.186 0.288 0.088 0.00 0.00 +0.098 C ENDBRANCH 14 19 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 3.699 1.615 -1.796 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 4.215 1.329 -0.389 0.00 0.00 +0.087 A ATOM 27 C LIG 1 4.372 -0.099 0.061 0.00 0.00 +0.059 A ATOM 28 N LIG 1 4.122 -1.171 -0.786 0.00 0.00 -0.342 N ATOM 29 H LIG 1 4.169 -0.970 -1.780 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 4.524 -2.524 -0.420 0.00 0.00 +0.102 C ATOM 31 C LIG 1 4.244 -2.747 1.063 0.00 0.00 +0.023 C ATOM 32 C LIG 1 4.907 -1.660 1.922 0.00 0.00 +0.044 C ATOM 33 C LIG 1 4.748 -0.282 1.336 0.00 0.00 +0.041 A ATOM 34 C LIG 1 5.031 0.879 2.209 0.00 0.00 +0.270 A ATOM 35 O LIG 1 5.379 0.738 3.377 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 4.889 2.114 1.633 0.00 0.00 -0.243 N ATOM 37 H LIG 1 5.080 2.924 2.216 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 4.470 2.361 0.362 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4