REMARK  Name = BDB006065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.549  -0.344   0.755  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1        1.277  -0.993  -0.216  0.00  0.00    -0.325 N 
ATOM      3  H   LIG    1        0.778  -1.682  -0.770  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        2.566  -0.704  -0.559  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        3.167   0.374   0.234  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        4.474   0.751  -0.017  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        5.200   0.047  -1.083  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        4.500  -0.937  -1.749  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1        4.986  -1.434  -2.489  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        6.361   0.333  -1.354  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        5.051   1.775   0.734  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.296   2.405   1.729  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        2.971   2.014   1.969  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.385   0.990   1.223  0.00  0.00    +0.077 A 
ATOM     15  N   LIG    1        3.208  -1.321  -1.506  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1        1.042   0.620   1.486  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.889  -0.803   0.999  0.00  0.00    +0.158 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -5.383   0.595  -0.033  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1       -4.256  -0.204  -0.506  0.00  0.00    -0.303 NA
ATOM     20  C   LIG    1       -3.926  -1.274   0.451  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.696  -2.095  -0.002  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -1.473  -1.300  -0.267  0.00  0.00    -0.293 NA
ATOM     23  C   LIG    1       -1.837  -0.185  -1.179  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -3.077   0.642  -0.758  0.00  0.00    +0.099 C 
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 2