REMARK Name = BDB010170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.131 -1.246 0.021 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.178 -0.937 0.386 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.819 -1.694 1.354 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.089 -1.257 1.581 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.294 -0.297 0.707 0.00 0.00 +0.202 A ATOM 6 N LIG 1 0.265 -2.732 1.999 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.986 -2.978 1.589 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.118 0.017 0.047 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -1.688 -2.300 0.651 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.473 0.345 0.478 0.00 0.00 -0.294 N ATOM 11 C LIG 1 4.157 0.231 -0.834 0.00 0.00 +0.106 C ATOM 12 C LIG 1 5.630 0.538 -0.523 0.00 0.00 +0.029 C ATOM 13 C LIG 1 5.817 0.055 0.901 0.00 0.00 +0.021 C ATOM 14 C LIG 1 4.471 0.330 1.563 0.00 0.00 +0.108 C BRANCH 11 15 ATOM 15 C LIG 1 3.973 -1.091 -1.567 0.00 0.00 -0.027 A ATOM 16 C LIG 1 4.093 -2.339 -0.931 0.00 0.00 +0.005 A ATOM 17 C LIG 1 3.905 -3.530 -1.633 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.600 -3.495 -2.993 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.482 -2.268 -3.647 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.670 -1.077 -2.944 0.00 0.00 +0.005 A ENDBRANCH 11 15 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -1.849 -0.565 -0.951 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.543 0.383 -1.109 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -3.728 -0.672 -2.460 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.305 -0.721 -0.986 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -4.000 0.424 -0.230 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.510 0.206 0.088 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.075 -0.321 1.474 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -3.802 0.532 1.313 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 29 ATOM 29 C LIG 1 -1.679 -4.136 2.260 0.00 0.00 +0.375 C ATOM 30 O LIG 1 -1.197 -4.919 3.065 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 -2.979 -4.268 1.898 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 -3.284 -5.047 2.410 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 0.903 1.202 -0.770 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -0.065 2.197 -0.159 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -0.897 2.952 -1.003 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.792 3.885 -0.473 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.863 4.100 0.911 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -1.011 3.372 1.752 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.113 2.442 1.222 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -2.851 5.080 1.499 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -3.379 5.934 0.577 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.912 4.457 2.079 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.302 5.868 2.466 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10