REMARK Name = BDB025871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.345 -0.299 0.231 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.523 0.852 0.315 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.872 0.732 0.364 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.498 -0.527 0.326 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.663 -1.652 0.242 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.197 -2.882 0.186 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.728 -1.548 0.195 0.00 0.00 +0.064 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -4.766 -2.174 -0.445 0.00 0.00 +0.059 C ATOM 9 C LIG 1 -3.797 -1.621 -1.512 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -3.320 -0.213 -1.173 0.00 0.00 +0.106 C ATOM 11 N LIG 1 -2.740 -0.124 0.172 0.00 0.00 -0.328 N ATOM 12 C LIG 1 -3.537 -0.710 1.252 0.00 0.00 +0.106 C ATOM 13 C LIG 1 -4.072 -2.102 0.932 0.00 0.00 +0.038 C BRANCH 8 15 ATOM 14 C LIG 1 -6.140 -4.096 0.241 0.00 0.00 +0.104 C ATOM 15 N LIG 1 -5.209 -3.562 -0.761 0.00 0.00 -0.305 NA ATOM 16 C LIG 1 -5.842 -3.665 -2.082 0.00 0.00 +0.104 C ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 C LIG 1 2.962 -0.650 0.373 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.631 -1.613 1.102 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.976 -1.741 1.166 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.724 -0.874 0.466 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.173 0.101 -0.275 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.824 0.189 -0.304 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.115 -0.965 0.540 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.811 -0.359 -0.605 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.332 -0.433 -0.394 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.768 -1.779 -0.149 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.133 -2.290 1.034 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.603 -2.307 0.893 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.208 2.086 0.359 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.218 1.957 0.332 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.680 3.348 0.452 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.500 3.664 0.523 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.730 4.404 0.516 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.585 4.772 -0.608 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.493 5.756 -0.448 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.629 6.458 0.853 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.463 7.339 1.012 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.768 6.051 1.841 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -2.846 6.544 2.724 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.835 5.057 1.684 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.405 4.067 -1.916 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.829 2.780 -1.842 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.123 4.644 -2.915 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.116 4.046 -2.329 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7