REMARK  Name = BDB045584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.876  -0.115  -0.653  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.558  -0.273  -0.187  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        1.309  -1.234   0.789  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.040  -1.143   1.022  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.562  -1.720   1.664  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.567  -0.148   0.232  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1        2.297  -2.057   1.335  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        3.601  -1.884   0.860  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        0.392   0.391  -0.498  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        3.892  -0.930  -0.118  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.983   0.237   0.206  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -2.919  -0.261   1.122  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -4.253   0.138   1.048  0.00  0.00    +0.118 A 
ATOM     14  C   LIG    1       -4.685   1.032   0.076  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1       -3.764   1.538  -0.838  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.425   1.143  -0.771  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  O   LIG    1       -5.117  -0.383   1.968  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -6.002  -0.018   1.800  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  22
ATOM     19  N   LIG    1        4.314   1.632  -1.488  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        4.713   1.722  -0.564  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.439   2.405  -2.129  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        3.189   0.876  -1.699  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.513   1.025  -2.706  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 3