REMARK  Name = BDB031602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.347  -0.377  -0.090  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1        1.518  -0.748  -0.723  0.00  0.00    -0.303 N 
ATOM      3  H   LIG    1        1.468  -1.432  -1.474  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.356   0.197   0.995  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.889   2.450  -0.578  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.059   1.284  -0.874  0.00  0.00    -0.333 N 
ATOM      7  C   LIG    1       -3.159   0.161  -0.037  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -2.154  -0.833  -0.026  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.274  -1.971   0.798  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -3.392  -2.150   1.605  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.400  -1.198   1.591  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.917  -0.705  -0.893  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -1.105   0.334  -1.996  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -4.285  -0.065   0.777  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.727   1.586  -1.402  0.00  0.00    +0.106 C 
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        2.806  -0.619  -0.054  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        3.823  -1.504  -0.780  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1        3.490  -2.406  -1.548  0.00  0.00    -0.273 OA
ATOM     19  N   LIG    1        5.145  -1.244  -0.517  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        5.809  -1.822  -1.014  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        5.653  -0.063  -0.039  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        6.850   0.191  -0.131  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        4.673   0.876   0.625  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        3.312   0.820  -0.050  0.00  0.00    +0.041 C 
ENDBRANCH   2  16
TORSDOF 2