REMARK  Name = BDB064004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.378  -1.024  -0.016  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.438  -2.370  -0.163  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.257  -2.949  -0.108  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.770  -2.831  -0.570  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.095  -3.968  -0.845  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.583  -1.587  -0.619  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.872  -1.597  -0.979  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.791  -0.510  -0.282  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.758  -0.427  -1.084  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.701   0.636  -0.169  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.602   1.707  -0.313  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.559   1.736  -1.329  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.377   2.855  -1.345  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.044   3.653  -0.357  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.619   0.656  -2.230  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.754   3.134   0.642  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.725  -0.414  -2.095  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.444  -0.249   0.324  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -1.302   0.722   0.089  0.00  0.00    +0.155 HD
BRANCH  18  28
ATOM     20  C   LIG    1       -3.148   2.069  -1.033  0.00  0.00    +0.173 C 
ATOM     21  N   LIG    1       -4.102   1.315  -0.253  0.00  0.00    -0.265 N 
ATOM     22  C   LIG    1       -3.879   0.165   0.481  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -5.150  -0.190   0.946  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -5.323  -1.353   1.712  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.208  -2.134   2.003  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -2.947  -1.763   1.539  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1       -6.015   0.820   0.477  0.00  0.00    +0.143 A 
ATOM     28  C   LIG    1       -2.725  -0.609   0.756  0.00  0.00    +0.059 A 
ATOM     29  N   LIG    1       -5.381   1.742  -0.243  0.00  0.00    -0.179 NA
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 3