REMARK Name = BDB024060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.513 1.368 0.645 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -0.704 1.302 1.206 0.00 0.00 +0.012 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.664 0.219 0.959 0.00 0.00 -0.024 A ATOM 4 C LIG 1 -2.461 -0.232 2.016 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -3.429 -1.234 1.825 0.00 0.00 -0.008 A ATOM 6 C LIG 1 -4.224 -1.692 3.013 0.00 0.00 +0.047 C ATOM 7 C LIG 1 -3.642 -1.737 0.531 0.00 0.00 +0.128 A ATOM 8 C LIG 1 -2.806 -1.348 -0.529 0.00 0.00 -0.008 A ATOM 9 C LIG 1 -2.922 -1.934 -1.907 0.00 0.00 +0.047 C ATOM 10 C LIG 1 -1.847 -0.344 -0.308 0.00 0.00 +0.015 A BRANCH 7 11 ATOM 11 O LIG 1 -4.616 -2.679 0.325 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 -5.891 -2.168 -0.106 0.00 0.00 +0.200 C ATOM 13 C LIG 1 -6.261 -2.941 -1.384 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -6.929 -2.581 0.955 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 -6.045 -0.653 -0.413 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -5.935 -0.111 -1.505 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -6.297 0.105 0.677 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -6.274 1.022 0.335 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 7 11 ENDBRANCH 2 3 BRANCH 1 19 ATOM 19 C LIG 1 1.401 2.525 0.946 0.00 0.00 +0.191 C ATOM 20 O LIG 1 1.028 3.482 1.619 0.00 0.00 -0.287 OA BRANCH 19 22 ATOM 21 C LIG 1 3.606 1.468 0.305 0.00 0.00 +0.226 A ATOM 22 C LIG 1 2.740 2.551 0.326 0.00 0.00 +0.084 A ATOM 23 C LIG 1 3.180 3.749 -0.234 0.00 0.00 +0.027 A ATOM 24 C LIG 1 4.440 3.816 -0.841 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.225 2.646 -0.864 0.00 0.00 +0.075 A ATOM 26 C LIG 1 6.469 2.702 -1.478 0.00 0.00 +0.028 A ATOM 27 C LIG 1 6.952 3.880 -2.052 0.00 0.00 +0.002 A ATOM 28 C LIG 1 6.181 5.035 -2.015 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.925 5.006 -1.412 0.00 0.00 +0.010 A ATOM 30 N LIG 1 4.815 1.494 -0.305 0.00 0.00 -0.212 NA BRANCH 21 31 ATOM 31 O LIG 1 3.224 0.301 0.934 0.00 0.00 -0.474 OA BRANCH 31 32 ATOM 32 C LIG 1 4.296 -0.607 1.219 0.00 0.00 +0.258 C BRANCH 32 33 ATOM 33 C LIG 1 4.502 -1.609 0.086 0.00 0.00 +0.200 C BRANCH 33 35 ATOM 34 C LIG 1 5.776 -3.475 -0.584 0.00 0.00 +0.194 C ATOM 35 O LIG 1 5.530 -2.532 0.451 0.00 0.00 -0.380 OA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 21 31 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 11