REMARK  Name = BDB049737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.858   0.440  -0.674  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.318   0.018   0.541  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.066  -0.155   0.701  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.964   0.085  -0.349  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.423   0.504  -1.571  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.038   0.676  -1.727  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.410  -0.118  -0.114  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.590   0.203  -1.329  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.850  -0.268  -0.260  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.289  -0.641   0.960  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.143  -1.067   1.997  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.525  -1.109   1.788  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.063  -0.733   0.561  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.236  -0.306  -0.483  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.910  -0.550   1.029  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.223   0.625  -0.903  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -2.497   0.957  -1.816  0.00  0.00    +0.155 HD
BRANCH  16  20
ATOM     18  C   LIG    1       -5.660   0.700  -0.053  0.00  0.00    +0.124 A 
ATOM     19  N   LIG    1       -4.516   0.803  -0.746  0.00  0.00    -0.200 NA
ATOM     20  C   LIG    1       -3.366   0.501  -0.117  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1       -3.309   0.107   1.162  0.00  0.00    -0.223 NA
ATOM     22  C   LIG    1       -4.470   0.033   1.832  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1       -5.685   0.322   1.269  0.00  0.00    +0.063 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -7.838   0.000  -0.778  0.00  0.00    +0.127 C 
ATOM     25  N   LIG    1       -6.822   1.040  -0.751  0.00  0.00    -0.332 N 
ATOM     26  H   LIG    1       -6.500   1.271  -1.691  0.00  0.00    +0.147 HD
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4