REMARK  Name = BDB063834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.641  -4.556   0.809  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.412  -3.364   0.769  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.302  -2.252   0.340  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.546  -2.468  -0.103  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.627  -1.058   0.466  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.544  -1.382   0.919  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.727  -2.709   1.107  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.539  -3.170   1.473  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.502  -1.449  -0.565  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1       -3.586  -0.174   0.017  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -4.543   0.760  -0.434  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -5.411   0.388  -1.464  0.00  0.00    +0.039 A 
ATOM     13  S   LIG    1       -6.464   1.706  -1.816  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1       -5.697   2.631  -0.597  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.358  -0.883  -2.052  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1       -4.720   2.046   0.055  0.00  0.00    -0.247 NA
ATOM     17  C   LIG    1       -4.399  -1.790  -1.583  0.00  0.00    +0.009 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.568  -0.538   1.210  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        2.484  -0.952   1.311  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.545   0.873   0.849  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        1.886   1.091  -0.630  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        3.264   0.637  -1.099  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.437   1.292  -0.373  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.690   0.688   1.001  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        3.813   1.211   2.135  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        2.408   1.708   1.800  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3