REMARK  Name = BDB012784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346  -1.417  -0.215  0.00  0.00    +0.260 C 
ATOM      2  N   LIG    1        0.681  -0.677  -0.760  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.067  -1.082  -0.564  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        2.882  -0.047  -1.335  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.017   1.211  -1.228  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.603   0.655  -1.348  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.142  -2.422   0.464  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        4.237   0.113  -0.866  0.00  0.00    -0.265 N 
ATOM      9  N   LIG    1        5.256  -0.085  -1.730  0.00  0.00    -0.177 NA
ATOM     10  C   LIG    1        6.346   0.156  -0.994  0.00  0.00    +0.157 A 
ATOM     11  C   LIG    1        6.021   0.500   0.329  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1        4.655   0.469   0.388  0.00  0.00    +0.131 A 
BRANCH  11  13
ATOM     13  N   LIG    1        6.841   0.803   1.345  0.00  0.00    -0.356 N 
ATOM     14  H   LIG    1        6.499   0.853   2.300  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1        7.840   0.628   1.286  0.00  0.00    +0.142 HD
ENDBRANCH  11  13
ENDBRANCH   4   8
BRANCH   1  17
ATOM     16  C   LIG    1       -2.602  -1.115   0.542  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1       -1.765  -0.957  -0.496  0.00  0.00    +0.089 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -4.028  -0.741   0.417  0.00  0.00    +0.037 C 
ATOM     19  N   LIG    1       -4.820  -1.317  -0.432  0.00  0.00    -0.304 NA
ATOM     20  H   LIG    1       -4.326  -2.070  -0.926  0.00  0.00    +0.186 HD
BRANCH  18  22
ATOM     21  C   LIG    1       -4.979   1.566   0.498  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -4.543   0.363   1.329  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -5.686  -0.154   2.197  0.00  0.00    +0.014 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
BRANCH  17  24
ATOM     24  N   LIG    1       -2.090  -0.464  -1.754  0.00  0.00    -0.354 N 
ATOM     25  H   LIG    1       -3.097  -0.457  -1.928  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -1.583  -0.953  -2.490  0.00  0.00    +0.142 HD
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 6