REMARK  Name = BDB033755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.124  -2.348   0.739  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -2.447  -1.243   0.262  0.00  0.00    +0.093 A 
ATOM      3  N   LIG    1       -1.113  -1.083   0.462  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1       -0.436  -2.033   1.119  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1       -1.024  -3.137   1.605  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -2.352  -3.269   1.407  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.074  -0.131  -0.476  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.886   1.196  -0.049  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.469   2.267  -0.732  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.246   2.030  -1.861  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.434   0.727  -2.313  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.849  -0.344  -1.630  0.00  0.00    +0.010 A 
ENDBRANCH   2   7
BRANCH   1  14
ATOM     13  N   LIG    1       -5.664  -2.756   0.499  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -4.527  -2.553   0.604  0.00  0.00    +0.103 C 
ENDBRANCH   1  14
BRANCH   4  15
ATOM     15  N   LIG    1        0.930  -1.936   1.360  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        1.234  -2.753   1.869  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.917  -1.016   0.990  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        1.680   0.100   0.178  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.706   0.998  -0.144  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.988   0.791   0.363  0.00  0.00    +0.105 A 
ATOM     21  C   LIG    1        4.256  -0.314   1.169  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        3.222  -1.203   1.481  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  S   LIG    1        5.291   1.905  -0.067  0.00  0.00    +0.056 S 
ATOM     24  O   LIG    1        4.961   2.573  -1.303  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        6.563   1.254   0.147  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        5.164   3.069   1.137  0.00  0.00    -0.204 NA
ATOM     27  H   LIG    1        6.017   3.082   1.696  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        4.929   3.970   0.721  0.00  0.00    +0.144 HD
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 6