REMARK  Name = BDB003022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.709  -0.173   0.245  0.00  0.00    -0.334 N 
ATOM      2  C   LIG    1        3.404  -0.295  -1.008  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        2.518  -0.674  -2.063  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        2.918  -0.884  -3.368  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.256  -0.712  -3.687  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        5.164  -0.313  -2.681  0.00  0.00    +0.021 A 
ATOM      7  S   LIG    1        6.850  -0.043  -2.932  0.00  0.00    -0.097 S 
ATOM      8  C   LIG    1        7.093   0.403  -1.315  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        5.927   0.345  -0.588  0.00  0.00    +0.018 A 
ATOM     10  S   LIG    1        0.821  -0.851  -1.520  0.00  0.00    -0.070 S 
ATOM     11  C   LIG    1        4.777  -0.089  -1.347  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        1.334  -0.405   0.121  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        0.419  -0.290   1.104  0.00  0.00    +0.059 C 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -1.026  -0.534   0.975  0.00  0.00    +0.045 A 
ATOM     15  N   LIG    1       -1.920   0.499   0.888  0.00  0.00    -0.340 N 
ATOM     16  C   LIG    1       -3.268   0.243   0.761  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -3.722  -1.104   0.751  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -5.090  -1.395   0.630  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -6.039  -0.375   0.525  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -5.605   0.948   0.513  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -7.496  -0.703   0.362  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -2.810  -2.146   0.858  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.243   1.252   0.633  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -1.463  -1.859   0.970  0.00  0.00    +0.026 A 
BRANCH  15  25
ATOM     25  C   LIG    1       -1.423   1.908   0.946  0.00  0.00    +0.119 C 
ATOM     26  C   LIG    1       -1.241   2.468  -0.452  0.00  0.00    +0.027 C 
ENDBRANCH  15  25
ENDBRANCH  13  14
BRANCH   1  28
ATOM     27  C   LIG    1        3.547   1.510   1.818  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1        3.438   0.029   1.492  0.00  0.00    +0.119 C 
ENDBRANCH   1  28
TORSDOF 3