REMARK Name = BDB046444 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.551 -1.320 0.611 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 0.476 -1.468 -0.313 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -1.813 -1.533 -0.845 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -0.810 -1.262 0.105 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.177 -0.808 1.374 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.524 -0.631 1.707 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.530 -0.905 0.778 0.00 0.00 -0.047 A ATOM 8 C LIG 1 -3.164 -1.356 -0.495 0.00 0.00 +0.010 A BRANCH 3 9 ATOM 9 C LIG 1 -1.484 -2.028 -2.238 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -0.658 -4.369 -1.643 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -1.673 -3.538 -2.414 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 C LIG 1 -4.984 -0.706 1.137 0.00 0.00 +0.038 C BRANCH 12 13 ATOM 13 C LIG 1 -5.409 0.777 1.206 0.00 0.00 -0.007 C ATOM 14 C LIG 1 -5.269 1.469 -0.167 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -6.185 2.680 -0.286 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -7.658 2.284 -0.177 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -7.890 1.043 0.686 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.837 0.910 1.780 0.00 0.00 +0.004 C ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.052 0.119 0.671 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 2.433 0.652 -0.710 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.980 1.969 -0.606 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 4.320 2.115 -0.374 0.00 0.00 +0.121 A ATOM 23 C LIG 1 5.239 1.088 -0.148 0.00 0.00 +0.054 A ATOM 24 C LIG 1 6.598 1.369 0.092 0.00 0.00 -0.003 A ATOM 25 C LIG 1 7.013 2.708 0.096 0.00 0.00 +0.009 A ATOM 26 C LIG 1 6.101 3.739 -0.130 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.760 3.439 -0.361 0.00 0.00 +0.045 A BRANCH 24 28 ATOM 28 C LIG 1 7.566 0.294 0.345 0.00 0.00 +0.084 A ATOM 29 C LIG 1 8.814 0.152 -0.133 0.00 0.00 +0.208 A ATOM 30 N LIG 1 9.460 -0.963 0.303 0.00 0.00 -0.287 N ATOM 31 H LIG 1 10.400 -1.230 0.059 0.00 0.00 +0.172 HD ATOM 32 C LIG 1 8.749 -1.763 1.163 0.00 0.00 +0.291 A ATOM 33 O LIG 1 9.133 -2.801 1.674 0.00 0.00 -0.260 OA ATOM 34 S LIG 1 7.161 -1.033 1.410 0.00 0.00 -0.023 S BRANCH 29 35 ATOM 35 O LIG 1 9.459 0.990 -0.987 0.00 0.00 -0.493 OA ATOM 36 H LIG 1 10.304 0.578 -1.222 0.00 0.00 +0.294 HD ENDBRANCH 29 35 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12