REMARK  Name = BDB018468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.414  -0.006   0.132  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        1.140   1.137   0.821  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.104   0.978   1.274  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.678  -0.231   0.854  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.308  -0.833   0.104  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.989  -0.753   1.105  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.204   0.050   0.881  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.415  -0.475   1.144  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.565  -1.855   1.665  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -5.689  -2.283   1.907  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -3.384  -2.564   1.837  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -3.441  -3.926   2.344  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.145  -2.011   1.564  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -3.211   1.421   0.326  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.900   1.635  -1.025  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -2.897   2.929  -1.549  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.206   4.004  -0.724  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -3.205   5.244  -1.229  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.519   3.811   0.616  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.522   2.519   1.144  0.00  0.00    +0.011 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     21  C   LIG    1        4.661   0.938  -1.434  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        3.456   0.989  -0.723  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        2.678  -0.167  -0.506  0.00  0.00    +0.083 A 
ATOM     24  C   LIG    1        3.169  -1.396  -0.968  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1        4.368  -1.444  -1.698  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.107  -0.282  -1.935  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.527   2.149  -2.279  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.289   2.143  -1.579  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
BRANCH  24  29
ATOM     29  C   LIG    1        2.583  -2.710  -0.658  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1        2.304  -3.580  -1.459  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        2.477  -2.885   0.669  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        2.179  -3.812   0.777  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH   1  23
TORSDOF 6