REMARK Name = BDB008383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.590 -1.868 -1.256 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.730 -1.548 -1.635 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -1.268 -2.046 -2.823 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -0.478 -2.832 -3.662 0.00 0.00 +0.024 A ATOM 5 C LIG 1 0.836 -3.129 -3.300 0.00 0.00 +0.043 A ATOM 6 CL LIG 1 1.798 -4.104 -4.344 0.00 0.00 -0.083 Cl ATOM 7 C LIG 1 1.372 -2.656 -2.101 0.00 0.00 +0.047 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 3.256 -1.980 0.028 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.285 -1.452 0.557 0.00 0.00 +0.253 C ATOM 10 N LIG 1 1.030 -1.357 -0.013 0.00 0.00 -0.278 N ATOM 11 H LIG 1 0.322 -0.814 0.468 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 2.360 -0.850 1.881 0.00 0.00 +0.101 A ATOM 13 C LIG 1 3.484 -0.310 2.484 0.00 0.00 +0.168 A ATOM 14 N LIG 1 3.080 0.124 3.753 0.00 0.00 -0.217 N ATOM 15 C LIG 1 3.983 0.710 4.635 0.00 0.00 +0.161 A ATOM 16 C LIG 1 5.263 0.871 4.275 0.00 0.00 +0.153 A ATOM 17 C LIG 1 5.601 0.394 2.898 0.00 0.00 +0.160 A ATOM 18 N LIG 1 1.760 -0.096 3.966 0.00 0.00 -0.173 NA ATOM 19 N LIG 1 4.776 -0.152 2.054 0.00 0.00 -0.232 NA ATOM 20 C LIG 1 1.345 -0.693 2.850 0.00 0.00 +0.150 A BRANCH 16 21 ATOM 21 O LIG 1 6.241 1.431 5.056 0.00 0.00 -0.504 OA ATOM 22 H LIG 1 5.854 1.670 5.916 0.00 0.00 +0.292 HD ENDBRANCH 16 21 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 2 23 ATOM 23 O LIG 1 -1.457 -0.790 -0.747 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 -2.237 0.265 -1.327 0.00 0.00 +0.174 C ATOM 25 C LIG 1 -3.722 -0.034 -1.126 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.613 1.063 -1.709 0.00 0.00 +0.035 C ATOM 27 C LIG 1 -3.928 2.431 -1.785 0.00 0.00 +0.115 C ATOM 28 C LIG 1 -2.951 2.633 -0.632 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -1.851 1.570 -0.611 0.00 0.00 +0.047 C BRANCH 27 30 ATOM 30 O LIG 1 -4.929 3.441 -1.763 0.00 0.00 -0.392 OA ATOM 31 H LIG 1 -4.484 4.304 -1.815 0.00 0.00 +0.210 HD ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 2 23 TORSDOF 6