REMARK  Name = BDB057842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.702  -0.591   0.299  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        4.149  -1.855   0.294  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        3.245  -2.821   0.111  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.881  -2.560  -0.071  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.987  -3.640  -0.282  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.444  -4.956  -0.294  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.795  -5.208  -0.100  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.515  -1.203  -0.035  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.677  -4.142   0.097  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.426  -0.227   0.118  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        4.423   1.703   1.108  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1        4.693   0.482   0.464  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        5.993   0.332  -0.064  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        6.950   1.351   0.030  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.637   2.554   0.658  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.371   2.736   1.205  0.00  0.00    +0.033 A 
BRANCH  11  18
ATOM     17  O   LIG    1        2.893   1.229   2.757  0.00  0.00    -0.126 OA
ATOM     18  N   LIG    1        3.149   1.927   1.766  0.00  0.00    +0.057 N 
ATOM     19  O   LIG    1        2.442   2.847   1.329  0.00  0.00    -0.126 OA
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  N   LIG    1        0.161  -0.844  -0.199  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -0.401  -1.365   0.469  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -0.115   0.586  -0.085  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.604   0.808  -0.229  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -2.254   0.506  -1.432  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.631   0.709  -1.569  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.398   1.220  -0.509  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.737   1.518   0.694  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -2.359   1.317   0.834  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.845   1.434  -0.653  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.383   2.149  -1.725  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1       -7.705   2.379  -1.920  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -8.548   1.875  -0.996  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -8.131   1.153   0.109  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -6.764   0.933   0.278  0.00  0.00    +0.011 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 6