REMARK  Name = BDB031593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.774   0.775   0.168  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.201   1.375  -0.420  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.152  -0.187   0.938  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.775  -1.117   1.443  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.356   0.015   1.091  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        2.183  -0.791   0.108  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.369  -1.410   0.530  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        4.138  -2.161  -0.361  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.757  -2.275  -1.695  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.603  -1.637  -2.139  0.00  0.00    +0.001 A 
ATOM     11  O   LIG    1        3.847  -1.357   1.813  0.00  0.00    -0.492 OA
ATOM     12  C   LIG    1        3.269  -0.336   2.625  0.00  0.00    +0.230 C 
ATOM     13  C   LIG    1        1.823  -0.897  -1.246  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        1.757  -0.335   2.526  0.00  0.00    +0.058 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.860   2.308  -1.030  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.791   1.752  -0.799  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.752   1.824  -1.692  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.915   2.428  -2.487  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.436   1.538  -1.424  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -1.530   1.969  -2.138  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.175   0.645  -0.208  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.114   1.051   0.922  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.555   0.934   0.450  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2