REMARK Name = BDB009509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.829 -2.764 -0.611 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.854 -3.280 0.682 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.278 -3.647 1.299 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.060 -3.416 1.360 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.254 -3.051 0.733 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.251 -2.548 -0.578 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.027 -2.425 -1.254 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 3.917 -0.851 0.339 0.00 0.00 +0.076 C ATOM 9 C LIG 1 2.606 -1.044 1.120 0.00 0.00 +0.041 C ATOM 10 C LIG 1 1.377 -0.909 0.230 0.00 0.00 +0.110 C ATOM 11 N LIG 1 1.457 -1.835 -0.900 0.00 0.00 -0.297 N ATOM 12 C LIG 1 0.432 -2.659 -1.362 0.00 0.00 +0.249 C ATOM 13 O LIG 1 0.506 -3.299 -2.410 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.721 -1.876 -1.632 0.00 0.00 +0.110 C ATOM 15 C LIG 1 3.707 -0.808 -1.180 0.00 0.00 +0.041 C BRANCH 8 18 ATOM 16 O LIG 1 6.739 -0.347 0.238 0.00 0.00 -0.269 OA ATOM 17 C LIG 1 5.973 0.521 0.638 0.00 0.00 +0.263 C ATOM 18 N LIG 1 4.612 0.347 0.785 0.00 0.00 -0.307 N ATOM 19 H LIG 1 4.095 1.195 1.009 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 20 C LIG 1 6.457 1.893 1.002 0.00 0.00 +0.125 A ATOM 21 N LIG 1 5.496 2.795 1.360 0.00 0.00 -0.250 NA ATOM 22 C LIG 1 5.933 4.029 1.688 0.00 0.00 +0.111 A ATOM 23 C LIG 1 7.268 4.408 1.674 0.00 0.00 +0.020 A ATOM 24 C LIG 1 8.223 3.467 1.300 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.815 2.182 0.956 0.00 0.00 +0.033 A ENDBRANCH 17 20 ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C LIG 1 -4.549 -2.196 -1.272 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.379 -1.170 -0.510 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.050 0.291 -0.661 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -3.977 0.724 -1.433 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.219 0.051 -1.505 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -3.522 2.108 -1.351 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -4.732 3.035 -1.272 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -5.658 2.639 -0.113 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -5.855 1.151 -0.018 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.962 0.652 0.827 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -7.704 1.416 1.437 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.100 -0.709 0.897 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.860 -1.068 1.465 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -6.343 -1.626 0.236 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5