REMARK  Name = BDB059784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.824   0.149  -0.037  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -0.520   0.729   0.007  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -0.758   2.092  -0.071  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -2.117   2.275  -0.170  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -2.767   1.093  -0.182  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -3.519  -5.375   0.143  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.054  -3.950   0.084  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.235  -3.430   1.092  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.825  -2.093   1.056  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.227  -1.256   0.011  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.072  -1.771  -0.982  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.483  -3.106  -0.946  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1       -2.834   3.502  -0.265  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.172   4.738  -0.259  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.905   5.925  -0.355  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.294   5.888  -0.458  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.959   4.664  -0.464  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.234   3.474  -0.368  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   2  19
ATOM     19  C   LIG    1        0.782   0.078   0.109  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1        1.846   0.887  -0.267  0.00  0.00    -0.190 N 
ATOM     21  H   LIG    1        1.662   1.610  -0.951  0.00  0.00    +0.183 HD
ATOM     22  O   LIG    1        0.924  -1.079   0.491  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  O   LIG    1        3.046   0.166  -0.510  0.00  0.00    -0.275 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.914   0.320   0.620  0.00  0.00    +0.228 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.074  -0.624   0.480  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        6.384  -0.172   0.648  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1        6.618   1.121   0.918  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.468  -1.040   0.547  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.250  -2.391   0.280  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        5.948  -2.864   0.119  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.865  -1.988   0.223  0.00  0.00    +0.009 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   2  19
TORSDOF 6