REMARK Name = BDB009392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.304 0.387 0.092 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.236 0.505 1.476 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.367 1.346 2.054 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.061 -0.270 2.285 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.981 -1.146 1.703 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.096 -1.239 0.306 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.239 -0.472 -0.497 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 3.796 0.470 -1.330 0.00 0.00 +0.063 C ATOM 9 C LIG 1 2.832 1.039 -2.389 0.00 0.00 +0.030 C ATOM 10 C LIG 1 1.694 1.831 -1.754 0.00 0.00 +0.109 C ATOM 11 N LIG 1 0.902 0.996 -0.849 0.00 0.00 -0.297 N ATOM 12 C LIG 1 -0.472 1.227 -0.782 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -1.062 2.065 -1.461 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.595 -0.108 -0.185 0.00 0.00 +0.109 C ATOM 15 C LIG 1 3.083 0.173 -0.001 0.00 0.00 +0.030 C BRANCH 8 16 ATOM 16 C LIG 1 4.953 1.440 -1.078 0.00 0.00 +0.166 C ATOM 17 O LIG 1 4.838 2.644 -1.306 0.00 0.00 -0.292 OA BRANCH 16 21 ATOM 18 C LIG 1 8.726 0.107 0.547 0.00 0.00 +0.120 A ATOM 19 C LIG 1 7.731 -0.829 0.268 0.00 0.00 +0.046 A ATOM 20 C LIG 1 6.497 -0.419 -0.261 0.00 0.00 +0.015 A ATOM 21 C LIG 1 6.247 0.935 -0.515 0.00 0.00 +0.018 A ATOM 22 C LIG 1 7.252 1.869 -0.234 0.00 0.00 +0.015 A ATOM 23 C LIG 1 8.479 1.456 0.293 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 10.267 -1.522 1.339 0.00 0.00 +0.277 C ATOM 25 O LIG 1 9.963 -0.161 1.061 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 6 26 ATOM 26 C LIG 1 -4.107 -2.165 -0.333 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.514 -2.033 0.236 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -6.309 -0.787 -0.047 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.803 0.256 -0.806 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -4.986 0.065 -1.376 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -6.653 1.340 -1.273 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -7.653 1.704 -0.178 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -8.426 0.469 0.305 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -7.539 -0.732 0.490 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -8.059 -1.862 1.291 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -9.187 -1.848 1.772 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.208 -2.922 1.459 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.549 -3.706 2.005 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -5.951 -3.030 0.949 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6