REMARK Name = BDB050810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.280 1.649 -1.702 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.219 0.704 -1.734 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -0.208 0.692 -0.763 0.00 0.00 +0.031 A ATOM 4 C LIG 1 0.732 -0.372 -0.993 0.00 0.00 +0.020 A ATOM 5 C LIG 1 0.443 -1.115 -2.110 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.248 1.673 0.257 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -1.300 2.587 0.329 0.00 0.00 +0.046 A ATOM 8 S LIG 1 -0.956 -0.555 -2.896 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -2.293 2.577 -0.640 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -3.418 1.689 -2.709 0.00 0.00 +0.079 C BRANCH 10 11 ATOM 11 C LIG 1 -4.648 0.912 -2.215 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 -5.882 1.385 -2.986 0.00 0.00 +0.334 C ATOM 13 O LIG 1 -6.591 0.737 -3.739 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 -6.198 2.674 -2.725 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 -7.003 2.820 -3.268 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 -4.420 -0.483 -2.437 0.00 0.00 -0.365 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.692 -1.313 -1.311 0.00 0.00 +0.160 C BRANCH 17 19 ATOM 18 C LIG 1 -6.478 -2.456 0.047 0.00 0.00 +0.006 C ATOM 19 C LIG 1 -6.191 -1.479 -1.079 0.00 0.00 +0.025 C ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 O LIG 1 0.711 1.679 1.246 0.00 0.00 -0.491 OA BRANCH 20 21 ATOM 21 C LIG 1 1.615 2.787 1.115 0.00 0.00 +0.235 C BRANCH 21 22 ATOM 22 C LIG 1 2.921 2.374 0.435 0.00 0.00 +0.100 C BRANCH 22 23 ATOM 23 C LIG 1 3.714 1.380 1.209 0.00 0.00 +0.086 A ATOM 24 C LIG 1 4.338 1.502 2.433 0.00 0.00 +0.126 A ATOM 25 C LIG 1 4.470 2.571 3.437 0.00 0.00 +0.088 C ATOM 26 O LIG 1 4.948 0.312 2.715 0.00 0.00 -0.440 OA ATOM 27 C LIG 1 4.672 -0.479 1.631 0.00 0.00 +0.228 A ATOM 28 N LIG 1 3.950 0.120 0.703 0.00 0.00 -0.214 NA BRANCH 27 29 ATOM 29 C LIG 1 5.204 -1.840 1.649 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.967 -2.326 2.722 0.00 0.00 +0.013 A ATOM 31 C LIG 1 6.463 -3.633 2.712 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.200 -4.471 1.629 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.444 -4.004 0.557 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.950 -2.697 0.568 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 12