REMARK Name = BDB039037 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.695 0.219 0.964 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.565 0.857 0.484 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.300 0.137 0.583 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.163 0.749 -0.196 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.311 1.966 -0.902 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.241 2.505 -1.629 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.991 1.879 -1.663 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.849 0.684 -0.947 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.209 -0.194 -0.758 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.231 -1.204 0.080 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.500 -1.025 0.391 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.650 2.659 -0.919 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.898 0.127 -0.227 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.487 2.301 0.306 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.722 -0.952 1.323 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.582 -2.366 0.592 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.537 -2.431 2.135 0.00 0.00 +0.011 C ATOM 18 C LIG 1 0.506 -3.419 2.647 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.239 -4.840 2.147 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.449 -4.890 0.783 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.103 -3.675 -0.069 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.972 0.408 1.478 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.784 1.036 0.994 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.537 -0.011 -1.357 0.00 0.00 +0.086 C ATOM 25 C LIG 1 -1.963 -1.193 -2.231 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.577 0.425 -0.301 0.00 0.00 +0.029 C BRANCH 26 27 ATOM 27 C LIG 1 -3.984 0.767 -0.846 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.007 0.973 0.301 0.00 0.00 +0.101 C ATOM 29 C LIG 1 -6.387 1.402 -0.212 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -6.325 2.574 -1.187 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.367 2.295 -2.337 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.967 1.936 -1.847 0.00 0.00 +0.004 C BRANCH 28 33 ATOM 33 C LIG 1 -4.569 1.886 1.431 0.00 0.00 +0.308 C ATOM 34 O LIG 1 -4.729 1.660 2.620 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.006 3.039 1.036 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -3.810 3.507 1.876 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7