REMARK  Name = BDB031322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.609  -2.799  -0.766  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -1.587  -2.946  -1.774  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.194  -1.601  -0.270  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.130  -0.445  -1.057  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -2.667   0.698  -0.513  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -3.252   0.718   0.752  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -3.689   2.013   1.001  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1       -4.155   2.356   1.825  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -3.379   2.815  -0.107  0.00  0.00    +0.325 A 
ATOM     10  O   LIG    1       -3.614   4.003  -0.235  0.00  0.00    -0.247 OA
ATOM     11  C   LIG    1       -3.333  -0.403   1.541  0.00  0.00    +0.029 A 
ATOM     12  N   LIG    1       -2.743   1.982  -1.040  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -2.411   2.303  -1.935  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -2.789  -1.581   1.012  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.238  -3.429  -0.004  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1       -0.548  -3.730   1.377  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.290  -4.440  -0.896  0.00  0.00    -0.150 OA
BRANCH  15  21
ATOM     18  C   LIG    1        2.675   0.100  -0.070  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.557  -0.744  -1.186  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        1.672  -1.825  -1.166  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        0.894  -2.054  -0.028  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        1.016  -1.234   1.098  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        1.903  -0.154   1.073  0.00  0.00    +0.017 A 
BRANCH  18  24
ATOM     24  C   LIG    1        3.629   1.240  -0.153  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        4.282   1.498  -1.153  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1        4.553   3.041   1.011  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1        3.658   1.928   1.015  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH  18  24
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 5