REMARK Name = BDB035168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.872 0.072 1.011 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.701 -0.379 0.526 0.00 0.00 -0.144 NA ATOM 3 N LIG 1 -1.849 0.634 0.813 0.00 0.00 -0.213 N ATOM 4 C LIG 1 -2.548 1.636 1.434 0.00 0.00 +0.175 A ATOM 5 C LIG 1 -1.855 2.819 1.833 0.00 0.00 +0.159 A ATOM 6 N LIG 1 -0.576 2.963 1.616 0.00 0.00 -0.258 NA ATOM 7 C LIG 1 0.094 1.928 0.984 0.00 0.00 +0.134 A ATOM 8 C LIG 1 -0.480 0.774 0.574 0.00 0.00 +0.067 A ATOM 9 N LIG 1 -3.814 1.330 1.568 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.830 -1.010 2.068 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.107 -0.675 0.933 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.645 -1.091 -0.283 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.805 -1.800 -0.328 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.413 -2.068 0.834 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.985 -1.707 2.045 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.984 -0.785 -1.617 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.827 -0.412 -2.817 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.979 0.630 -2.152 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.163 -0.954 4.396 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.311 -0.645 3.299 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.203 -0.381 -0.115 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 1.690 -0.237 -0.350 0.00 0.00 -0.041 A ATOM 23 C LIG 1 2.609 -0.645 0.627 0.00 0.00 +0.005 A ATOM 24 C LIG 1 3.982 -0.487 0.420 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.464 0.073 -0.770 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.543 0.503 -1.733 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.170 0.347 -1.530 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 5.896 0.256 -1.014 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.866 -0.715 -0.888 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.667 -2.108 -0.564 0.00 0.00 +0.150 C ATOM 31 C LIG 1 8.077 -0.155 -1.196 0.00 0.00 +0.119 A ATOM 32 C LIG 1 7.810 1.156 -1.543 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.445 1.381 -1.439 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 8.769 2.225 -1.981 0.00 0.00 +0.436 C ATOM 35 F LIG 1 10.045 1.754 -2.069 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.808 3.273 -1.117 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.463 2.728 -3.206 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7