REMARK  Name = BDB049275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.492  -0.027   0.440  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.950  -0.964  -0.444  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.601  -1.162  -0.598  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        0.405  -2.085  -1.520  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.639  -2.526  -1.949  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.266  -0.384   0.220  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.339   0.489   1.059  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.551  -1.862  -1.275  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.701   0.680   1.199  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.747  -0.451   0.182  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -2.420  -0.465  -1.048  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.816  -0.533  -1.102  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.572  -0.591   0.075  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -3.902  -0.594   1.306  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.507  -0.527   1.359  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.082  -0.685   0.020  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.765   0.386   0.768  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -8.193   0.083   0.883  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -6.584   1.688   0.120  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.856   0.142   0.535  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.039   0.672   1.389  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.558   0.836  -0.547  0.00  0.00    +0.147 C 
BRANCH  22  25
ATOM     23  C   LIG    1        6.828  -1.397  -0.553  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        7.028   0.055  -0.265  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        6.025   1.015  -0.266  0.00  0.00    +0.010 A 
ATOM     26  S   LIG    1        6.623   2.573   0.128  0.00  0.00    -0.100 S 
ATOM     27  C   LIG    1        8.217   1.992   0.291  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        8.297   0.639   0.058  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6