REMARK Name = BDB042145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.393 1.165 1.582 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.799 1.202 0.906 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.122 0.815 -0.477 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -2.178 -0.313 -0.445 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.388 0.354 0.135 0.00 0.00 -0.285 NA ATOM 6 C LIG 1 -2.967 1.787 0.252 0.00 0.00 +0.077 C ATOM 7 C LIG 1 -2.007 1.975 -0.923 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -1.970 1.895 1.440 0.00 0.00 +0.127 C ATOM 9 O LIG 1 0.582 1.732 2.655 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.813 -0.329 -0.577 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.946 -1.411 -0.604 0.00 0.00 +0.251 C ATOM 12 O LIG 1 5.197 -2.545 -0.961 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.663 -0.936 -0.082 0.00 0.00 +0.077 A ATOM 14 C LIG 1 3.815 0.400 0.291 0.00 0.00 -0.014 A ATOM 15 C LIG 1 2.749 1.101 0.832 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.524 0.430 0.979 0.00 0.00 +0.040 A ATOM 17 C LIG 1 1.389 -0.927 0.627 0.00 0.00 +0.052 A ATOM 18 C LIG 1 2.473 -1.611 0.084 0.00 0.00 +0.137 A ATOM 19 F LIG 1 2.338 -2.898 -0.256 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.212 0.855 0.024 0.00 0.00 +0.144 C BRANCH 10 27 ATOM 21 O LIG 1 11.278 0.336 -0.441 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 10.091 0.057 -0.586 0.00 0.00 +0.219 C ATOM 23 N LIG 1 9.279 0.822 -1.383 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.712 1.645 -1.779 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.905 0.781 -1.456 0.00 0.00 +0.240 C ATOM 26 O LIG 1 7.292 1.692 -2.008 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 7.241 -0.467 -0.853 0.00 0.00 +0.163 C ATOM 28 C LIG 1 8.001 -0.890 0.406 0.00 0.00 +0.041 C ATOM 29 C LIG 1 9.459 -1.150 0.063 0.00 0.00 +0.098 C ENDBRANCH 10 27 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -4.608 0.151 -0.687 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.829 0.888 -0.125 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.144 0.856 1.244 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.266 1.527 1.735 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.092 2.234 0.865 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.800 2.269 -0.497 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.678 1.600 -0.990 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.945 -1.331 -0.893 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.366 -1.784 -2.156 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -5.687 -3.127 -2.362 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.599 -4.036 -1.309 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.194 -3.603 -0.049 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.873 -2.260 0.159 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5