REMARK Name = BDB048826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.761 0.982 0.535 0.00 0.00 +0.081 C ATOM 2 C LIG 1 -1.488 1.582 0.871 0.00 0.00 +0.169 C ATOM 3 C LIG 1 -0.435 0.609 0.659 0.00 0.00 -0.000 A ATOM 4 C LIG 1 -1.107 -0.560 0.267 0.00 0.00 -0.011 A ATOM 5 C LIG 1 -0.393 -1.719 0.013 0.00 0.00 +0.012 A ATOM 6 C LIG 1 1.000 -1.678 0.143 0.00 0.00 +0.046 A ATOM 7 C LIG 1 1.670 -0.496 0.516 0.00 0.00 +0.121 A ATOM 8 C LIG 1 0.943 0.665 0.785 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -2.569 -0.315 0.192 0.00 0.00 +0.002 C ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -3.624 -1.254 -0.207 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.622 -1.630 0.705 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -5.591 -2.512 0.273 0.00 0.00 +0.167 A ATOM 13 O LIG 1 -6.627 -2.980 1.020 0.00 0.00 -0.453 OA ATOM 14 C LIG 1 -7.283 -3.841 0.066 0.00 0.00 +0.466 C ATOM 15 O LIG 1 -6.633 -3.869 -1.222 0.00 0.00 -0.453 OA ATOM 16 C LIG 1 -5.595 -3.020 -1.005 0.00 0.00 +0.166 A ATOM 17 C LIG 1 -4.630 -2.675 -1.925 0.00 0.00 +0.050 A ATOM 18 C LIG 1 -3.634 -1.781 -1.518 0.00 0.00 +0.012 A ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 N LIG 1 -1.257 2.957 1.181 0.00 0.00 -0.181 N ATOM 20 O LIG 1 -0.263 3.645 0.420 0.00 0.00 -0.173 OA ATOM 21 C LIG 1 -1.903 3.617 2.310 0.00 0.00 +0.191 C ENDBRANCH 2 19 BRANCH 1 22 ATOM 22 C LIG 1 -4.045 1.701 0.538 0.00 0.00 +0.339 C ATOM 23 O LIG 1 -4.451 2.345 1.492 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.646 1.580 -0.670 0.00 0.00 -0.462 OA BRANCH 24 26 ATOM 25 C LIG 1 -5.712 3.677 -1.234 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -5.914 2.236 -0.806 0.00 0.00 +0.229 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 7 27 ATOM 27 O LIG 1 3.032 -0.619 0.587 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 3.780 0.578 0.806 0.00 0.00 +0.229 C BRANCH 28 29 ATOM 29 C LIG 1 5.269 0.246 0.745 0.00 0.00 +0.046 C BRANCH 29 30 ATOM 30 C LIG 1 5.683 -0.273 -0.634 0.00 0.00 +0.038 C BRANCH 30 31 ATOM 31 C LIG 1 7.167 -0.536 -0.704 0.00 0.00 -0.047 A ATOM 32 C LIG 1 7.690 -1.764 -0.276 0.00 0.00 +0.003 A ATOM 33 C LIG 1 9.065 -2.002 -0.324 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.928 -1.015 -0.797 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.418 0.211 -1.219 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.044 0.451 -1.171 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 10