REMARK Name = BDB010370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.930 -0.697 0.387 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.601 -1.114 0.465 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.198 -1.908 1.530 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.111 -2.260 1.438 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.528 -1.759 0.301 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.999 -2.309 2.530 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.255 -1.876 2.370 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.554 -0.961 -0.281 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.747 -1.120 1.374 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.761 -1.941 -0.250 0.00 0.00 -0.301 N ATOM 11 C LIG 1 -3.845 -2.129 0.740 0.00 0.00 +0.114 C ATOM 12 C LIG 1 -5.156 -2.378 0.018 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -5.052 -3.669 -0.771 0.00 0.00 +0.252 C ATOM 14 F LIG 1 -5.618 -4.682 -0.063 0.00 0.00 -0.206 F ATOM 15 F LIG 1 -5.801 -3.543 -1.901 0.00 0.00 -0.206 F ATOM 16 C LIG 1 -3.642 -4.073 -1.150 0.00 0.00 +0.094 C ATOM 17 C LIG 1 -2.820 -2.830 -1.432 0.00 0.00 +0.114 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 3.200 -2.284 3.433 0.00 0.00 +0.220 A ATOM 19 N LIG 1 2.760 -3.053 4.443 0.00 0.00 -0.269 N ATOM 20 H LIG 1 1.826 -3.405 4.577 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 3.804 -3.268 5.253 0.00 0.00 +0.440 A ATOM 22 O LIG 1 3.792 -3.925 6.281 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 4.898 -2.622 4.732 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 4.455 -1.983 3.528 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 2.442 0.086 -0.635 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.776 0.723 -1.045 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 3.713 1.886 0.444 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.781 0.667 -0.478 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.314 1.010 -1.877 0.00 0.00 +0.009 C ATOM 30 C LIG 1 3.672 2.150 -2.721 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.068 2.373 -3.339 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.661 1.770 -2.047 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -0.721 -0.163 -1.480 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.248 1.285 -1.309 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.364 2.173 -0.414 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.111 3.425 0.036 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.314 3.069 0.927 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.350 4.193 0.887 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.939 1.712 0.557 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.737 1.366 -0.915 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 7