REMARK  Name = BDB000907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.621  -0.653  -0.328  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1       -0.356  -0.362  -1.441  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        0.706  -1.279  -0.452  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.015  -1.738   0.652  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -1.313  -1.369   0.721  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1       -4.103  -1.032   0.980  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1       -3.978  -0.281   0.022  0.00  0.00    +0.310 C 
ATOM      8  N   LIG    1       -2.806  -0.072  -0.680  0.00  0.00    -0.248 N 
ATOM      9  H   LIG    1       -2.819   0.410  -1.561  0.00  0.00    +0.158 HD
ATOM     10  N   LIG    1       -5.003   0.487  -0.522  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -4.725   1.202  -1.176  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -6.365   0.493  -0.153  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -6.934  -0.402   0.754  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -8.298  -0.334   1.058  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -9.105   0.627   0.455  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.550   1.521  -0.456  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.187   1.453  -0.759  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        2.138  -1.488  -0.826  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.045  -0.395  -0.248  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.434  -0.664  -0.606  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        4.763  -1.605  -0.408  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.361   0.288  -0.170  0.00  0.00    +0.136 A 
ATOM     23  C   LIG    1        6.714  -0.024   0.029  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        7.590   0.970   0.451  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        8.922   0.486   0.605  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        9.034  -0.852   0.302  0.00  0.00    +0.048 A 
ATOM     27  N   LIG    1        7.196   2.245   0.682  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        5.895   2.455   0.464  0.00  0.00    +0.223 A 
ATOM     29  S   LIG    1        7.537  -1.527  -0.168  0.00  0.00    -0.092 S 
ATOM     30  N   LIG    1        4.977   1.563   0.062  0.00  0.00    -0.220 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6