REMARK  Name = BDB007311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.356   0.670   2.304  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        2.377   1.243   1.370  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        1.645   0.265   0.617  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        1.706   0.528  -0.750  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        1.070  -0.011  -1.638  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        2.638   1.642  -0.940  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        3.134   2.288  -2.066  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.016   3.364  -1.835  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.372   3.764  -0.538  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        3.858   3.094   0.569  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.995   2.026   0.362  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.502  -0.379   1.275  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        0.381  -1.861   0.897  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -0.981  -2.389   1.339  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.093  -1.738   0.636  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1       -1.794  -0.374   0.177  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -0.819   0.384   1.076  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.337  -1.834   1.418  0.00  0.00    +0.126 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.567  -1.619   0.577  0.00  0.00    +0.004 A 
ATOM     20  S   LIG    1       -5.843  -0.630   1.157  0.00  0.00    -0.100 S 
ATOM     21  C   LIG    1       -6.774  -0.893  -0.253  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -6.136  -1.722  -1.148  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.865  -2.144  -0.667  0.00  0.00    +0.012 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        2.853   1.970  -3.494  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        3.326   2.661  -4.393  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        2.077   0.903  -3.820  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        1.542   0.360  -3.143  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.851   0.767  -4.795  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 4