REMARK Name = BDB024968 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.841 1.081 2.247 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.178 0.254 1.324 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.927 -0.809 0.609 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.320 -1.952 1.562 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.185 -1.442 -0.580 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.401 -0.396 -1.339 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.408 0.199 -0.384 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.082 0.484 -0.776 0.00 0.00 +0.095 A ATOM 9 N LIG 1 0.492 0.288 -1.995 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.763 0.672 -1.862 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.997 1.197 -0.592 0.00 0.00 -0.296 N ATOM 12 C LIG 1 0.186 1.047 0.124 0.00 0.00 +0.074 A ATOM 13 C LIG 1 0.579 1.397 1.422 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.899 1.118 1.801 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.821 0.526 0.927 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.352 2.018 2.868 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.202 1.764 -0.103 0.00 0.00 +0.052 A ATOM 18 C LIG 1 -2.676 1.406 1.166 0.00 0.00 +0.071 A ATOM 19 C LIG 1 -3.874 1.939 1.652 0.00 0.00 +0.122 A ATOM 20 C LIG 1 -4.593 2.839 0.865 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -4.118 3.205 -0.397 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -2.924 2.671 -0.884 0.00 0.00 +0.026 A BRANCH 19 23 ATOM 23 O LIG 1 -4.230 1.495 2.895 0.00 0.00 -0.495 OA ATOM 24 C LIG 1 -5.437 2.011 3.443 0.00 0.00 +0.277 C ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.896 1.591 3.277 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.166 0.762 2.370 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.796 0.425 -2.925 0.00 0.00 +0.094 C BRANCH 27 28 ATOM 28 C LIG 1 -2.913 -0.551 -2.511 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -2.475 -1.909 -1.982 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -3.171 -2.483 -0.904 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.801 -3.730 -0.397 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -1.734 -4.424 -0.963 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.040 -3.873 -2.037 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.410 -2.626 -2.547 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -3.890 -0.697 -3.660 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -5.079 -0.418 -3.623 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -3.347 -1.176 -4.797 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -4.107 -1.264 -5.409 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8