REMARK  Name = BDB002958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.057  -0.951  -0.968  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1       -3.125  -0.342  -0.274  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.724   0.678   0.612  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -3.629   1.390   1.386  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.995   1.090   1.289  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -5.424   0.072   0.404  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1       -6.885  -0.274   0.271  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.978   1.864   2.126  0.00  0.00    +0.044 C 
ATOM      9  S   LIG    1       -0.955   0.929   0.588  0.00  0.00    -0.070 S 
ATOM     10  C   LIG    1       -4.481  -0.636  -0.371  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.832  -0.355  -0.650  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.371  -0.679  -1.163  0.00  0.00    +0.059 C 
ENDROOT
BRANCH  12  13
ATOM     13  C   LIG    1        1.643  -0.025  -0.827  0.00  0.00    +0.045 A 
ATOM     14  N   LIG    1        2.454  -0.498   0.167  0.00  0.00    -0.340 N 
ATOM     15  C   LIG    1        3.654   0.121   0.441  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        4.029   1.270  -0.310  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        5.243   1.926  -0.051  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        6.120   1.460   0.932  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        5.762   0.338   1.676  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        7.399   2.192   1.220  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.193   1.750  -1.310  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.553  -0.325   1.429  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.004   1.097  -1.573  0.00  0.00    +0.026 A 
BRANCH  14  24
ATOM     24  C   LIG    1        2.012  -1.678   0.971  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        2.570  -2.951   0.362  0.00  0.00    +0.027 C 
ENDBRANCH  14  24
ENDBRANCH  12  13
BRANCH   1  27
ATOM     26  C   LIG    1       -2.587  -1.245  -3.352  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -2.319  -1.930  -2.020  0.00  0.00    +0.119 C 
ENDBRANCH   1  27
TORSDOF 3