REMARK Name = BDB010256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.053 -0.303 0.789 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.792 0.250 0.603 0.00 0.00 -0.312 N ATOM 3 C LIG 1 -0.013 -0.705 0.015 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.796 -1.823 -0.064 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.397 -3.017 -0.522 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.891 -3.020 -0.887 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.751 -1.975 -0.858 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.331 -0.771 -0.426 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.053 -1.564 0.388 0.00 0.00 -0.203 NA ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.344 -0.328 1.696 0.00 0.00 -0.309 N ATOM 11 H LIG 1 5.120 0.267 1.954 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 3.230 0.385 1.317 0.00 0.00 +0.280 C ATOM 13 O LIG 1 3.289 1.610 1.441 0.00 0.00 -0.267 OA BRANCH 10 14 ATOM 14 C LIG 1 4.570 -1.761 1.605 0.00 0.00 +0.107 C BRANCH 14 16 ATOM 15 C LIG 1 5.852 -1.974 3.781 0.00 0.00 +0.009 C ATOM 16 C LIG 1 5.891 -2.182 2.265 0.00 0.00 -0.000 C ATOM 17 C LIG 1 6.192 -3.647 1.948 0.00 0.00 +0.009 C ENDBRANCH 14 16 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -1.427 -4.335 -1.389 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -0.816 -5.387 -1.486 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -2.729 -4.282 -1.756 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -2.926 -5.195 -2.049 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.184 0.328 -0.424 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.689 1.159 -0.731 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.503 0.180 -1.054 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -3.757 1.418 -1.925 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.593 0.098 0.029 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.004 -0.351 -0.453 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.635 -1.783 -0.022 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -4.621 -1.157 0.951 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 0.347 1.546 1.110 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 0.233 2.613 0.044 0.00 0.00 -0.028 A ATOM 32 C LIG 1 1.188 2.775 -0.968 0.00 0.00 +0.006 A ATOM 33 C LIG 1 1.051 3.784 -1.926 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -0.041 4.662 -1.890 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -0.979 4.526 -0.859 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.840 3.518 0.099 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -0.177 5.766 -2.910 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -1.476 6.050 -3.211 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.373 6.936 -2.486 0.00 0.00 -0.166 F ATOM 40 F LIG 1 0.422 5.476 -4.098 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11