REMARK  Name = BDB063903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198  -1.817   0.714  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.034  -3.019   1.310  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.753  -3.637   1.639  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.292  -3.250   1.484  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.835  -4.204   2.004  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.904  -2.034   0.887  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.230  -1.849   0.855  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.907  -1.197   0.437  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.942  -0.681   0.310  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.142  -0.291   0.927  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.853   0.803   0.402  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.408   1.505  -0.720  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.213   2.559  -1.122  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.246   2.651  -0.316  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.213   1.095  -1.339  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.329   1.505   0.953  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.498   0.006  -0.823  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.466  -1.390   0.471  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.143  -2.140   0.350  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.269  -0.306  -0.809  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -1.753  -0.290  -0.464  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -1.199   1.048   0.065  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -2.033   2.278  -0.284  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.327   2.435   0.523  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.824   1.192   1.255  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.211   0.023   0.358  0.00  0.00    +0.033 C 
BRANCH  20  28
ATOM     27  C   LIG    1       -4.739  -1.697  -2.102  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -3.570  -1.638  -1.294  0.00  0.00    -0.378 OA
ENDBRANCH  20  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4