REMARK Name = BDB046183 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.525 -0.818 -0.263 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -3.635 -1.446 0.563 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -4.967 -1.075 0.796 0.00 0.00 +0.174 A ATOM 4 C LIG 1 -5.515 0.161 0.509 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -6.876 0.050 0.927 0.00 0.00 +0.121 A ATOM 6 N LIG 1 -7.123 -1.181 1.405 0.00 0.00 -0.077 NA ATOM 7 C LIG 1 -4.691 1.135 -0.079 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.349 0.814 -0.339 0.00 0.00 +0.047 A ATOM 9 O LIG 1 -5.930 -1.871 1.332 0.00 0.00 -0.354 OA ATOM 10 C LIG 1 -2.827 -0.450 -0.030 0.00 0.00 +0.127 A BRANCH 5 11 ATOM 11 C LIG 1 -7.931 1.060 0.875 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -9.229 0.702 0.479 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -10.243 1.661 0.421 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -9.971 2.984 0.762 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -8.689 3.350 1.168 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -7.673 2.392 1.226 0.00 0.00 +0.010 A ENDBRANCH 5 11 BRANCH 2 17 ATOM 17 C LIG 1 -3.117 -2.820 0.905 0.00 0.00 +0.042 C BRANCH 17 19 ATOM 18 C LIG 1 -2.720 -3.704 -1.459 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -3.464 -3.882 -0.143 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 2 17 ENDBRANCH 1 10 BRANCH 1 20 ATOM 20 C LIG 1 -0.713 0.052 -1.052 0.00 0.00 +0.229 C BRANCH 20 21 ATOM 21 C LIG 1 0.622 -0.651 -1.287 0.00 0.00 +0.044 C BRANCH 21 22 ATOM 22 C LIG 1 1.552 0.091 -2.250 0.00 0.00 +0.044 C BRANCH 22 23 ATOM 23 C LIG 1 1.902 1.520 -1.829 0.00 0.00 +0.229 C BRANCH 23 24 ATOM 24 O LIG 1 2.308 1.595 -0.465 0.00 0.00 -0.492 OA BRANCH 24 25 ATOM 25 C LIG 1 3.608 1.331 -0.142 0.00 0.00 +0.121 A ATOM 26 C LIG 1 3.893 1.415 1.221 0.00 0.00 +0.049 A ATOM 27 C LIG 1 5.183 1.168 1.695 0.00 0.00 +0.049 A ATOM 28 C LIG 1 6.209 0.821 0.815 0.00 0.00 +0.122 A ATOM 29 C LIG 1 5.931 0.751 -0.548 0.00 0.00 +0.049 A ATOM 30 C LIG 1 4.634 1.000 -1.024 0.00 0.00 +0.049 A BRANCH 28 31 ATOM 31 O LIG 1 7.422 0.633 1.410 0.00 0.00 -0.475 OA BRANCH 31 32 ATOM 32 C LIG 1 8.470 -0.121 0.782 0.00 0.00 +0.200 C ATOM 33 C LIG 1 8.030 -1.542 0.405 0.00 0.00 +0.067 C ATOM 34 C LIG 1 9.563 -0.236 1.860 0.00 0.00 +0.067 C BRANCH 32 35 ATOM 35 C LIG 1 9.128 0.620 -0.396 0.00 0.00 +0.348 C ATOM 36 O LIG 1 9.721 0.082 -1.319 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 9.004 1.969 -0.304 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 8.460 2.219 0.474 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 14