REMARK  Name = BDB002755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.721  -0.560  -0.404  0.00  0.00    -0.245 N 
ATOM      2  C   LIG    1        0.484  -1.933  -0.411  0.00  0.00    +0.243 A 
ATOM      3  N   LIG    1       -0.752  -2.430  -0.124  0.00  0.00    -0.250 N 
ATOM      4  C   LIG    1       -0.650  -3.802  -0.195  0.00  0.00    +0.182 A 
ATOM      5  N   LIG    1        0.684  -4.040  -0.529  0.00  0.00    -0.252 N 
ATOM      6  H   LIG    1        1.129  -4.943  -0.646  0.00  0.00    +0.191 HD
ATOM      7  S   LIG    1       -1.713  -5.054   0.027  0.00  0.00    -0.011 S 
ATOM      8  C   LIG    1       -1.769  -1.578   0.203  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -1.589  -0.211   0.236  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -2.796   0.427   0.604  0.00  0.00    -0.023 A 
ATOM     11  C   LIG    1       -3.262   1.821   0.807  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -4.633   1.608   1.526  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -5.093   0.151   1.207  0.00  0.00    +0.043 C 
ATOM     14  C   LIG    1       -3.804  -0.470   0.825  0.00  0.00    -0.004 A 
ATOM     15  S   LIG    1       -3.351  -2.063   0.605  0.00  0.00    -0.074 S 
ATOM     16  N   LIG    1        1.369  -2.865  -0.643  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -0.299   0.373  -0.094  0.00  0.00    +0.268 A 
ATOM     18  O   LIG    1       -0.187   1.596  -0.125  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  22
ATOM     19  C   LIG    1        4.393   2.753   0.355  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        3.841   1.578  -0.397  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1        2.571   1.068  -0.078  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.035  -0.053  -0.738  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        2.822  -0.654  -1.733  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        4.093  -0.165  -2.048  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.603   0.944  -1.379  0.00  0.00    +0.003 A 
ENDBRANCH   1  22
TORSDOF 1