REMARK  Name = BDB053000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.527   0.758   0.145  0.00  0.00    -0.195 N 
ATOM      2  C   LIG    1        0.360   2.147   0.124  0.00  0.00    +0.280 A 
ATOM      3  O   LIG    1        1.246   2.999   0.181  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -1.028   2.640   0.048  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -2.089   1.744   0.032  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.400   2.232  -0.092  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.639   3.608  -0.165  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.576   4.504  -0.125  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.769   0.293   0.114  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -1.272   4.022  -0.023  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -0.532  -0.122   0.150  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1        5.650  -1.928   0.340  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.323  -1.234   0.264  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        4.243   0.110  -0.102  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.006   0.770  -0.142  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        1.814   0.111   0.191  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        1.917  -1.239   0.574  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        3.150  -1.902   0.616  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
BRANCH   9  19
ATOM     19  N   LIG    1       -2.813  -0.630   0.156  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1       -3.724  -0.266   0.405  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.745  -1.977   0.000  0.00  0.00    +0.119 A 
ATOM     22  N   LIG    1       -1.594  -2.623  -0.372  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1       -0.694  -2.192  -0.557  0.00  0.00    +0.190 HD
ATOM     24  N   LIG    1       -1.735  -3.958  -0.483  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -3.018  -4.159  -0.176  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1       -3.696  -2.962   0.129  0.00  0.00    +0.064 A 
ENDBRANCH  19  21
ENDBRANCH   9  19
TORSDOF 3