REMARK  Name = BDB031608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.520  -0.186  -0.438  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.538   0.460  -1.223  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.270  -0.643  -0.056  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.118  -1.698   0.554  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.880   0.269  -0.498  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        2.060   0.300   0.464  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        3.389   0.277  -0.007  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        4.452   0.339   0.908  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.209   0.459   2.275  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.901   0.516   2.743  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.707   0.136  -1.475  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        2.547   0.553  -2.372  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        1.836   0.443   1.845  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.267  -0.140  -1.929  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.694   1.379   1.264  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.875   0.553   0.870  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.912   0.086  -0.418  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.607   0.543  -0.995  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.826  -0.395  -1.101  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -3.711  -0.199  -2.311  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.702  -1.027  -0.271  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.132  -1.207   1.185  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.729   0.080   1.731  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2