REMARK Name = BDB026015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.611 -0.987 -0.512 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.122 0.339 -0.541 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.255 0.591 -0.515 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.187 -0.463 -0.451 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.676 -1.770 -0.422 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.510 -2.819 -0.348 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.693 -2.037 -0.454 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.633 -0.196 -0.416 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.569 -0.934 -1.112 0.00 0.00 +0.124 A ATOM 10 N LIG 1 4.902 -0.705 -1.097 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.357 0.313 -0.349 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.530 1.093 0.365 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.205 0.825 0.316 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 6.725 0.591 -0.343 0.00 0.00 -0.295 N ATOM 15 C LIG 1 7.567 -0.569 -0.676 0.00 0.00 +0.139 C ATOM 16 C LIG 1 9.049 -0.142 -0.744 0.00 0.00 +0.133 C ATOM 17 C LIG 1 9.954 -1.348 -0.959 0.00 0.00 +0.039 C ATOM 18 O LIG 1 9.461 0.496 0.480 0.00 0.00 -0.371 OA ATOM 19 C LIG 1 8.674 1.680 0.713 0.00 0.00 +0.133 C ATOM 20 C LIG 1 9.195 2.335 1.985 0.00 0.00 +0.039 C ATOM 21 C LIG 1 7.176 1.334 0.845 0.00 0.00 +0.139 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 24 ATOM 22 C LIG 1 -4.722 -2.640 0.301 0.00 0.00 +0.075 C ATOM 23 C LIG 1 -3.547 -1.731 0.740 0.00 0.00 +0.124 C ATOM 24 N LIG 1 -3.011 -1.185 -0.536 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -3.495 -2.031 -1.650 0.00 0.00 +0.107 C ATOM 26 C LIG 1 -4.171 -3.234 -0.996 0.00 0.00 +0.039 C BRANCH 22 27 ATOM 27 N LIG 1 -5.246 -3.576 1.315 0.00 0.00 -0.301 NA ATOM 28 C LIG 1 -4.304 -4.630 1.698 0.00 0.00 +0.105 C BRANCH 27 30 ATOM 29 C LIG 1 -7.293 -4.850 2.005 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -6.538 -4.142 0.883 0.00 0.00 +0.081 C ENDBRANCH 27 30 ENDBRANCH 22 27 ENDBRANCH 1 24 BRANCH 2 31 ATOM 31 N LIG 1 -2.110 1.343 -0.613 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.046 0.943 -0.658 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.942 2.704 -0.602 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.894 3.322 -0.470 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.234 3.443 -0.703 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.110 3.400 -1.864 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.245 4.124 -1.849 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.620 4.958 -0.675 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.677 5.580 -0.705 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.714 4.958 0.380 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -4.989 5.771 1.555 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.544 4.216 0.350 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -3.710 2.587 -3.055 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.813 1.258 -2.801 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.502 2.828 -4.133 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.438 2.828 -3.451 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 8