REMARK  Name = BDB057027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.856  -2.816   1.974  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.551  -1.618   1.121  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.255  -1.138   1.221  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.882  -0.095   0.518  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.861   0.535  -0.358  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.138   0.039  -0.437  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.809   0.839  -1.336  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.873   1.776  -1.740  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -1.659   1.583  -1.129  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.483  -1.062   0.322  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.276   0.775  -1.835  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.260  -0.116  -1.486  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.371   0.247  -2.197  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.289  -0.186  -2.192  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.176   1.315  -2.986  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -5.898   1.636  -2.765  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.393   0.443   0.563  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.478   1.249  -0.054  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.496   0.073   1.265  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        1.641  -1.244   2.358  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.224  -0.991   2.763  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.691   0.052   2.075  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        2.727   0.703   1.230  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.108   0.483   2.294  0.00  0.00    +0.132 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.813   0.310   0.974  0.00  0.00    +0.135 A 
ATOM     26  N   LIG    1        6.490  -0.837   0.759  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        7.114  -0.960  -0.427  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        7.103   0.015  -1.395  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.400   1.153  -1.080  0.00  0.00    +0.114 A 
ATOM     30  N   LIG    1        5.753   1.331   0.087  0.00  0.00    -0.240 NA
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5