REMARK Name = BDB009929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.873 -1.331 0.114 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.521 -1.655 0.022 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.081 -2.909 0.406 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.266 -3.037 0.246 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.692 -1.887 -0.241 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.879 -3.882 0.867 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.165 -3.514 0.903 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.622 -1.024 -0.425 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.682 -2.312 0.555 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.089 -1.622 -0.596 0.00 0.00 +0.021 A ATOM 11 C LIG 1 3.770 -0.486 -0.141 0.00 0.00 +0.057 A ATOM 12 C LIG 1 5.104 -0.248 -0.498 0.00 0.00 +0.131 A ATOM 13 C LIG 1 5.769 -1.170 -1.307 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.108 -2.320 -1.745 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.778 -2.546 -1.388 0.00 0.00 +0.012 A BRANCH 12 16 ATOM 16 O LIG 1 5.623 0.909 0.010 0.00 0.00 -0.406 OA BRANCH 16 17 ATOM 17 C LIG 1 6.959 1.240 -0.327 0.00 0.00 +0.575 C ATOM 18 F LIG 1 7.270 2.421 0.252 0.00 0.00 -0.133 F ATOM 19 F LIG 1 7.104 1.379 -1.663 0.00 0.00 -0.133 F ATOM 20 F LIG 1 7.823 0.309 0.128 0.00 0.00 -0.133 F ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -2.372 -0.085 -0.227 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.741 0.664 0.032 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -4.138 0.295 1.487 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.769 0.287 0.006 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -4.716 -0.535 -0.827 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.720 -0.409 -2.332 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.883 0.111 -1.536 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 28 ATOM 28 C LIG 1 -3.134 -4.558 1.394 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.873 -5.696 1.748 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -4.418 -4.128 1.425 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.914 -4.904 1.756 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.664 0.245 -1.141 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.640 1.478 -0.260 0.00 0.00 -0.028 A ATOM 34 C LIG 1 0.713 1.448 1.141 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.677 2.631 1.886 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.579 3.875 1.250 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.502 3.910 -0.148 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.536 2.728 -0.892 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.518 5.150 2.057 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.759 5.488 2.387 0.00 0.00 -0.166 F ATOM 41 F LIG 1 1.032 6.225 1.396 0.00 0.00 -0.166 F ATOM 42 F LIG 1 1.203 5.073 3.232 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 11