REMARK  Name = BDB063845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.768  -0.132  -4.344  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.700  -0.374  -3.156  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.754  -0.249  -2.113  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.978   0.215  -2.395  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.258  -0.698  -0.908  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.028  -1.029  -1.165  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.353  -0.850  -2.447  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.216  -1.142  -2.866  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.098   0.368  -1.454  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.913   0.754  -0.118  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.029   0.910   0.679  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.024   1.274   1.991  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.437   1.268   2.279  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.254   0.917   1.143  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.300   0.709   0.197  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.527   0.344  -1.110  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.413   0.179  -1.941  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.803  -1.554  -0.223  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.227  -1.729   0.602  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.067  -0.937   0.201  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -1.849   0.527   0.647  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -3.168   1.131   1.163  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -3.666   0.311   2.365  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -3.908  -1.148   1.944  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -4.960  -1.189   0.825  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.468  -0.379  -0.384  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.224   1.078   0.046  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.594  -1.745   1.419  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.147  -0.978  -0.902  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3