REMARK  Name = BDB006082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.901   0.389  -1.149  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1       -1.629  -0.782  -1.106  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1       -1.300  -1.589  -1.617  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.776  -0.963  -0.385  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -3.217   0.217   0.363  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.368   0.145   1.125  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -5.099  -1.129   1.146  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -4.562  -2.153   0.393  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1       -5.055  -3.040   0.397  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -6.128  -1.260   1.800  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.791   1.266   1.839  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.040   2.445   1.771  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -2.875   2.500   0.993  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.446   1.382   0.275  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1       -3.423  -2.091  -0.366  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1       -1.265   1.465  -0.500  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        0.380   0.421  -1.988  0.00  0.00    +0.158 C 
BRANCH  17  22
ATOM     18  C   LIG    1        3.050  -0.161   1.842  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        3.749  -0.894   0.793  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        2.871  -1.777   0.022  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1        1.562  -1.208  -0.585  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        1.569   0.150  -1.155  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        2.804   0.478  -1.871  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        3.870   1.015  -0.914  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        4.572  -0.038  -0.059  0.00  0.00    +0.085 C 
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 2