REMARK  Name = BDB022119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.502  -0.400   1.598  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1        0.503  -1.164   1.017  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        1.507  -0.279   0.630  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1        1.181   1.008   0.977  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.007   0.913   1.564  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -5.601   0.760   0.920  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -5.247   0.467   2.325  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -4.164  -0.614   2.466  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.917  -0.209   1.819  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.751  -0.890   2.155  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -1.758  -1.860   2.910  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.056   0.700   0.674  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -4.446   0.607   0.011  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     14  C   LIG    1       -7.068   2.199  -0.476  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -6.264   2.064   0.813  0.00  0.00    +0.081 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  16
ATOM     16  C   LIG    1        2.766  -0.554  -0.031  0.00  0.00    +0.252 A 
ATOM     17  N   LIG    1        3.551   0.498  -0.344  0.00  0.00    -0.210 NA
ATOM     18  C   LIG    1        4.726   0.250  -0.963  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        5.178  -1.030  -1.235  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1        6.487  -1.359  -1.875  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        4.301  -2.034  -0.882  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        3.112  -1.831  -0.285  0.00  0.00    -0.219 NA
BRANCH  18  23
ATOM     23  C   LIG    1        5.467   1.478  -1.265  0.00  0.00    +0.038 A 
ATOM     24  S   LIG    1        5.946   1.850  -2.871  0.00  0.00    -0.095 S 
ATOM     25  C   LIG    1        6.655   3.330  -2.393  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        6.505   3.563  -1.045  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.807   2.502  -0.399  0.00  0.00    +0.017 A 
ENDBRANCH  18  23
ENDBRANCH   3  16
BRANCH   2  28
ATOM     28  C   LIG    1        0.535  -2.626   0.769  0.00  0.00    +0.215 C 
BRANCH  28  29
ATOM     29  O   LIG    1        0.172  -2.790  -0.598  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        0.245  -4.153  -0.991  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 6