REMARK Name = BDB057383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.211 -0.852 -0.163 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.554 -0.645 -0.012 0.00 0.00 +0.124 A ATOM 3 C LIG 1 3.477 -0.433 -1.035 0.00 0.00 +0.091 A ATOM 4 C LIG 1 4.801 -0.240 -0.685 0.00 0.00 +0.128 A ATOM 5 O LIG 1 5.801 -0.011 -1.595 0.00 0.00 -0.491 OA ATOM 6 C LIG 1 7.016 -0.147 -0.819 0.00 0.00 +0.238 C ATOM 7 C LIG 1 6.690 0.060 0.672 0.00 0.00 +0.071 C ATOM 8 C LIG 1 5.232 -0.240 0.632 0.00 0.00 +0.001 A ATOM 9 C LIG 1 4.329 -0.432 1.661 0.00 0.00 +0.011 A ATOM 10 C LIG 1 2.987 -0.642 1.328 0.00 0.00 +0.046 A BRANCH 7 11 ATOM 11 C LIG 1 7.495 -0.844 1.602 0.00 0.00 +0.132 C BRANCH 11 12 ATOM 12 C LIG 1 8.961 -0.496 1.591 0.00 0.00 +0.305 C ATOM 13 O LIG 1 9.469 0.386 0.918 0.00 0.00 -0.251 OA BRANCH 12 14 ATOM 14 O LIG 1 9.686 -1.282 2.419 0.00 0.00 -0.481 OA ATOM 15 H LIG 1 9.162 -1.953 2.897 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 0.660 -0.904 -1.480 0.00 0.00 +0.232 C BRANCH 16 17 ATOM 17 C LIG 1 0.319 0.491 -2.003 0.00 0.00 +0.082 C BRANCH 17 18 ATOM 18 C LIG 1 -0.716 1.204 -1.133 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 -1.950 0.492 -1.220 0.00 0.00 -0.492 OA BRANCH 19 22 ATOM 20 C LIG 1 -5.351 0.567 0.100 0.00 0.00 -0.039 A ATOM 21 C LIG 1 -4.176 0.214 -0.587 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -3.001 0.973 -0.487 0.00 0.00 +0.121 A ATOM 23 C LIG 1 -2.987 2.112 0.311 0.00 0.00 +0.045 A ATOM 24 C LIG 1 -4.137 2.486 1.004 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -5.303 1.724 0.899 0.00 0.00 +0.004 A BRANCH 20 27 ATOM 26 C LIG 1 -7.781 0.631 -0.564 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -6.649 -0.253 0.004 0.00 0.00 -0.013 C ATOM 28 C LIG 1 -6.538 -1.495 -0.910 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -7.052 -0.755 1.407 0.00 0.00 +0.015 C ENDBRANCH 20 27 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10