REMARK  Name = BDB049279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.323  -0.147   0.066  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.378   1.087  -0.046  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.728   1.065   0.202  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.143   2.360   0.101  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.134   3.124  -0.254  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.430  -0.101   0.517  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.790  -1.233   0.629  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.017   2.320  -0.344  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.428  -1.225   0.389  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.553  -0.597  -0.652  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        3.955  -1.195   0.465  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.585  -1.050   0.705  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        1.776  -0.317  -0.176  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.379   0.284  -1.290  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.750   0.142  -1.529  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.036  -0.762  -0.915  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.827   1.107   0.418  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        6.886  -0.344   0.215  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        8.270  -0.756  -0.021  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.791  -0.067   0.731  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -4.052  -0.946   1.181  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.680   0.118  -0.412  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.111  -0.017   0.043  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.717   1.003   0.792  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -8.037   0.875   1.225  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.764  -0.274   0.919  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -8.170  -1.297   0.182  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.849  -1.172  -0.252  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6