REMARK  Name = BDB063868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.345   0.265  -3.951  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.803   0.186  -2.867  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -2.406   0.276  -1.510  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.719   0.470  -1.332  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.415   0.153  -0.559  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.319  -0.000  -1.244  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.490   0.001  -2.587  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.230  -0.070  -3.282  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.423   0.592  -0.045  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.525   1.462   0.026  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -6.231   1.567   1.238  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.879   0.824   2.366  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.668   1.032   3.487  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.596   1.917   3.208  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.784  -0.056   2.278  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.597   2.549   1.618  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.073  -0.167   1.075  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.908  -0.147  -0.673  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        0.848  -0.263   0.335  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.991  -0.832  -1.374  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        3.451  -0.570  -1.040  0.00  0.00    -0.009 C 
ATOM     22  C   LIG    1        4.369  -1.783  -1.032  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        5.769  -1.416  -0.551  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        5.751  -0.843   0.868  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.470  -0.070   1.195  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        3.832   0.525  -0.056  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.864  -0.117  -2.360  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3