REMARK  Name = BDB060496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451   1.183  -0.318  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.904   1.177  -0.032  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.327   2.509  -0.269  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        0.335   3.298  -0.678  0.00  0.00    -0.181 NA
ATOM      5  N   LIG    1       -0.715   2.466  -0.732  0.00  0.00    -0.276 N 
ATOM      6  H   LIG    1       -1.606   2.857  -1.012  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.675  -1.758   1.470  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1       -1.601  -1.160   0.482  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1       -1.550   0.072  -0.230  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -2.777   0.135  -0.861  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -3.458   1.085  -1.763  0.00  0.00    +0.090 C 
ATOM     12  O   LIG    1       -3.480  -0.995  -0.591  0.00  0.00    -0.359 OA
ATOM     13  N   LIG    1       -2.749  -1.808   0.240  0.00  0.00    -0.083 NA
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1        1.755   0.047   0.265  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1        1.914  -0.980  -0.666  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.783  -2.012  -0.356  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.489  -2.078   0.793  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        3.332  -1.061   1.667  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        2.491   0.017   1.449  0.00  0.00    +0.028 A 
ENDBRANCH   2  14
TORSDOF 2