REMARK  Name = BDB049211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.145  -1.202   1.218  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.092  -1.055  -0.308  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.287  -0.640  -0.868  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        2.215  -0.399   0.264  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.681  -1.266   1.331  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.226  -0.111  -0.639  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.624  -0.443  -0.637  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.340   0.704  -0.994  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.742   0.716  -1.074  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.428  -0.469  -0.792  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.740  -1.624  -0.435  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.413   1.699  -1.209  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.715   3.057  -1.601  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.344  -1.623  -0.354  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.148   1.225  -0.988  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -0.202  -3.635   1.561  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.631  -2.276   1.881  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.668  -2.089   3.331  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        2.210   1.016   0.685  0.00  0.00    +0.158 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.848   1.935  -0.319  0.00  0.00    +0.124 A 
ATOM     21  N   LIG    1        4.142   1.810  -0.771  0.00  0.00    -0.336 N 
ATOM     22  C   LIG    1        5.091   0.789  -0.406  0.00  0.00    +0.150 C 
ATOM     23  C   LIG    1        4.373   2.819  -1.666  0.00  0.00    +0.106 A 
ATOM     24  C   LIG    1        3.200   3.530  -1.717  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        2.265   2.980  -0.882  0.00  0.00    -0.239 NA
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4