REMARK Name = BDB022510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.438 1.113 0.261 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.761 -0.260 0.163 0.00 0.00 +0.055 A ATOM 3 C LIG 1 2.091 -0.666 0.023 0.00 0.00 +0.033 A ATOM 4 C LIG 1 3.137 0.274 -0.018 0.00 0.00 -0.013 A ATOM 5 C LIG 1 2.802 1.635 0.080 0.00 0.00 +0.010 A ATOM 6 C LIG 1 1.473 2.051 0.212 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.115 4.025 -0.029 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -2.731 3.894 0.418 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -2.627 2.891 1.503 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -1.224 2.255 1.607 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -0.929 1.479 0.377 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -1.462 2.087 -0.872 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -1.815 3.582 -0.702 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 4.542 -0.159 -0.157 0.00 0.00 +0.017 A ATOM 15 C LIG 1 5.420 0.440 -1.075 0.00 0.00 +0.131 A ATOM 16 F LIG 1 4.994 1.434 -1.872 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.747 0.029 -1.204 0.00 0.00 +0.039 A ATOM 18 C LIG 1 7.233 -1.004 -0.406 0.00 0.00 +0.003 A ATOM 19 C LIG 1 6.388 -1.618 0.515 0.00 0.00 +0.001 A ATOM 20 C LIG 1 5.058 -1.200 0.638 0.00 0.00 +0.011 A ENDBRANCH 4 14 BRANCH 2 21 ATOM 21 N LIG 1 -0.338 -1.144 0.210 0.00 0.00 -0.280 N ATOM 22 H LIG 1 -1.218 -0.637 0.289 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 -0.328 -2.514 0.201 0.00 0.00 +0.250 C ATOM 24 O LIG 1 0.643 -3.260 0.195 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -1.701 -3.091 0.268 0.00 0.00 +0.065 A ATOM 26 C LIG 1 -2.679 -2.992 -0.810 0.00 0.00 +0.073 A ATOM 27 C LIG 1 -3.892 -3.560 -0.649 0.00 0.00 +0.083 A ATOM 28 C LIG 1 -4.234 -4.276 0.605 0.00 0.00 +0.249 A ATOM 29 O LIG 1 -5.338 -4.778 0.766 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -3.240 -4.330 1.550 0.00 0.00 -0.328 N ATOM 31 H LIG 1 -3.466 -4.836 2.399 0.00 0.00 +0.168 HD ATOM 32 C LIG 1 -2.001 -3.762 1.392 0.00 0.00 +0.099 A BRANCH 26 33 ATOM 33 C LIG 1 -2.295 -2.295 -2.078 0.00 0.00 +0.418 C ATOM 34 F LIG 1 -1.120 -2.737 -2.584 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -3.224 -2.464 -3.057 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -2.184 -0.956 -1.893 0.00 0.00 -0.166 F ENDBRANCH 26 33 ENDBRANCH 23 25 ENDBRANCH 2 21 TORSDOF 5