REMARK Name = BDB010529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.909 -1.560 -0.148 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.072 -1.011 0.823 0.00 0.00 -0.319 N ATOM 3 C LIG 1 -0.741 -2.026 1.304 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -0.412 -3.121 0.524 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -0.991 -4.327 0.614 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.936 -4.375 1.553 0.00 0.00 +0.241 A ATOM 7 N LIG 1 -2.336 -3.377 2.382 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -1.728 -2.171 2.276 0.00 0.00 +0.101 A ATOM 9 N LIG 1 0.580 -2.827 -0.351 0.00 0.00 -0.206 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.173 -1.156 3.219 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -3.420 -0.527 3.057 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.863 0.428 3.975 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.067 0.749 5.067 0.00 0.00 +0.123 A ATOM 14 F LIG 1 -3.491 1.666 5.946 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -1.840 0.128 5.263 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -1.397 -0.828 4.346 0.00 0.00 +0.013 A ENDBRANCH 8 10 BRANCH 1 19 ATOM 17 C LIG 1 3.499 -0.833 -2.792 0.00 0.00 -0.041 A ATOM 18 C LIG 1 2.470 -1.464 -2.083 0.00 0.00 +0.035 A ATOM 19 C LIG 1 1.984 -0.892 -0.906 0.00 0.00 +0.106 A ATOM 20 N LIG 1 2.482 0.258 -0.404 0.00 0.00 -0.252 NA ATOM 21 C LIG 1 3.478 0.855 -1.096 0.00 0.00 +0.112 A ATOM 22 C LIG 1 4.009 0.360 -2.276 0.00 0.00 +0.023 A BRANCH 17 24 ATOM 23 C LIG 1 3.805 -0.526 -5.274 0.00 0.00 +0.012 C ATOM 24 C LIG 1 4.027 -1.449 -4.073 0.00 0.00 +0.013 C ATOM 25 C LIG 1 5.504 -1.831 -3.945 0.00 0.00 +0.012 C ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 6 26 ATOM 26 C LIG 1 -2.670 -5.676 1.751 0.00 0.00 +0.375 C ATOM 27 O LIG 1 -2.500 -6.706 1.123 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 -3.585 -5.559 2.756 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 -3.553 -4.646 3.128 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 6 26 BRANCH 2 30 ATOM 30 C LIG 1 0.000 0.381 1.238 0.00 0.00 +0.127 C BRANCH 30 31 ATOM 31 C LIG 1 -1.144 1.189 0.589 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -0.944 1.444 -0.919 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -0.251 2.775 -1.194 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -1.070 3.970 -0.673 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -1.902 4.607 -1.786 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -1.975 3.590 0.512 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.332 2.507 1.371 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7