REMARK  Name = BDB060304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.189   0.750   0.707  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.019  -0.021  -0.434  0.00  0.00    -0.162 N 
ATOM      3  C   LIG    1       -0.983  -0.618  -1.268  0.00  0.00    +0.284 C 
ATOM      4  O   LIG    1       -0.623  -1.117  -2.336  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        1.309  -0.130  -0.709  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1        1.882   0.479   0.344  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.975   1.033   1.224  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.438  -0.622  -0.999  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1       -3.053  -1.247   0.094  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -4.446  -1.160   0.266  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.221  -0.464  -0.663  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.617   0.136  -1.767  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.234   0.055  -1.939  0.00  0.00    +0.015 A 
BRANCH   9  14
ATOM     14  N   LIG    1       -2.294  -2.032   1.066  0.00  0.00    +0.057 N 
ATOM     15  O   LIG    1       -2.777  -2.162   2.199  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1       -1.227  -2.532   0.692  0.00  0.00    -0.126 OA
ENDBRANCH   9  14
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1        3.337   0.577   0.539  0.00  0.00    +0.110 A 
ATOM     18  N   LIG    1        3.772   1.323   1.590  0.00  0.00    -0.252 NA
ATOM     19  C   LIG    1        5.106   1.415   1.777  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        6.043   0.801   0.964  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.588   0.044  -0.108  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.217  -0.072  -0.326  0.00  0.00    +0.031 A 
ENDBRANCH   6  17
BRANCH   1  23
ATOM     23  N   LIG    1       -1.380   1.161   1.211  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.232   1.655   2.095  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -1.900   1.804   0.615  0.00  0.00    +0.145 HD
ENDBRANCH   1  23
TORSDOF 4