REMARK Name = BDB064609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.013 -2.160 -0.322 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.401 -1.052 -0.875 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.792 -0.753 -1.766 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.468 -2.862 0.526 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.743 -0.352 -1.181 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -3.007 -1.421 -1.668 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -2.398 -2.513 -0.900 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.276 -3.666 -1.898 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.197 -2.982 -3.258 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.103 -1.767 -3.081 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -4.329 0.399 -1.963 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -2.658 -3.846 -4.282 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.993 -4.549 -4.390 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.708 -0.074 0.346 0.00 0.00 +0.162 C BRANCH 14 17 ATOM 15 C LIG 1 -1.401 2.940 0.758 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -2.698 2.226 0.490 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -2.615 0.859 0.641 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -1.686 0.460 0.670 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -3.708 2.841 0.175 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -5.093 0.335 0.876 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -5.119 0.612 2.381 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -6.601 0.562 2.729 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -7.224 -0.432 1.753 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -6.130 -0.788 0.748 0.00 0.00 +0.006 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 25 ATOM 25 C LIG 1 1.048 -0.867 -0.721 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C LIG 1 1.735 -1.664 -1.849 0.00 0.00 +0.231 C ATOM 27 O LIG 1 1.167 -1.967 -2.896 0.00 0.00 -0.274 OA ATOM 28 N LIG 1 3.039 -2.006 -1.648 0.00 0.00 -0.328 N ATOM 29 H LIG 1 3.593 -1.634 -0.885 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 3.526 -2.473 -2.401 0.00 0.00 +0.145 HD ENDBRANCH 25 26 BRANCH 25 31 ATOM 31 C LIG 1 1.410 0.621 -0.816 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 2.824 0.940 -0.395 0.00 0.00 -0.045 A ATOM 33 C LIG 1 3.217 0.814 0.942 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.536 1.084 1.321 0.00 0.00 +0.009 A ATOM 35 C LIG 1 5.495 1.491 0.381 0.00 0.00 -0.018 A ATOM 36 C LIG 1 5.086 1.623 -0.955 0.00 0.00 +0.009 A ATOM 37 C LIG 1 3.769 1.353 -1.340 0.00 0.00 +0.004 A BRANCH 35 38 ATOM 38 C LIG 1 6.884 1.773 0.783 0.00 0.00 -0.018 A ATOM 39 C LIG 1 7.169 2.646 1.847 0.00 0.00 +0.008 A ATOM 40 C LIG 1 8.486 2.912 2.230 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.544 2.311 1.554 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.286 1.443 0.496 0.00 0.00 +0.001 A ATOM 43 C LIG 1 7.968 1.178 0.114 0.00 0.00 +0.008 A ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 2 25 TORSDOF 10