REMARK  Name = BDB023908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.367   2.032  -2.768  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.362   1.184  -2.015  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.870   0.392  -0.984  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.507   0.575  -0.436  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.105  -0.610   0.366  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.126  -0.937   0.995  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.019  -2.084   1.687  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.235  -2.515   1.450  0.00  0.00    -0.270 N 
ATOM      9  C   LIG    1       -1.667  -3.767   2.020  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -1.953  -1.647   0.691  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.368  -1.743   0.262  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.849  -0.335  -0.148  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -4.551   1.204  -2.333  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        1.359  -0.168   0.998  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.048   0.066  -0.214  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.210   0.847  -0.182  0.00  0.00    +0.050 A 
ATOM     17  N   LIG    1        3.678   0.920  -1.478  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1        4.513   1.416  -1.756  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        2.871   0.211  -2.324  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        3.732   1.404   1.003  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        4.983   2.231   1.071  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        3.034   1.120   2.191  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        1.861  -0.339  -1.572  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        1.872   0.351   2.194  0.00  0.00    +0.011 A 
ENDBRANCH   6  14
TORSDOF 1