REMARK Name = BDB048464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.282 -0.312 -1.157 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.890 0.260 -0.568 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -1.730 0.545 -1.638 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -3.001 1.107 -1.490 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -3.416 1.398 -0.188 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -2.586 1.144 0.904 0.00 0.00 +0.049 A ATOM 7 N LIG 1 -1.030 0.166 -2.751 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -1.323 0.237 -3.718 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.322 0.572 0.736 0.00 0.00 +0.036 A ATOM 10 N LIG 1 0.183 -0.344 -2.495 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.898 -0.903 -0.281 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.751 -0.434 -0.923 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.474 -0.815 -0.479 0.00 0.00 +0.004 A ATOM 14 C LIG 1 1.353 -1.687 0.610 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.493 -2.173 1.246 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.758 -1.782 0.801 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 5.596 0.368 -1.605 0.00 0.00 +0.241 C ATOM 18 N LIG 1 5.215 -0.550 -0.652 0.00 0.00 -0.282 N ATOM 19 H LIG 1 5.948 -1.003 -0.122 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 4.874 1.065 -2.307 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 7.605 1.385 -2.542 0.00 0.00 +0.096 C ATOM 22 C LIG 1 7.074 0.477 -1.711 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 9.843 0.757 -2.035 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 9.069 1.496 -2.619 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 9.465 2.525 -3.393 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 8.749 3.039 -3.809 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 -3.052 1.476 2.204 0.00 0.00 -0.216 N ATOM 28 H LIG 1 -2.475 2.100 2.766 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -3.720 0.248 3.153 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -2.931 -0.956 3.000 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -3.942 0.831 4.460 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.310 0.004 2.405 0.00 0.00 +0.108 A ATOM 33 C LIG 1 -5.563 -1.158 1.671 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -6.817 -1.339 1.088 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.808 -0.367 1.243 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.551 0.791 1.982 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -6.301 0.978 2.571 0.00 0.00 +0.029 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 8