REMARK  Name = BDB021785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.547   0.743  -0.578  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.613  -0.131  -0.844  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.321  -1.470  -0.715  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1       -1.374  -1.783  -0.602  0.00  0.00    +0.157 HD
ATOM      5  O   LIG    1       -3.723   0.292  -1.167  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.765   0.754  -0.466  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        1.876   0.642  -1.629  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.628  -0.199  -1.374  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.186   0.313  -0.168  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.620   1.318   0.672  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.056   0.817   0.821  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.832  -0.258  -0.479  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.922   0.008   0.570  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.143  -0.754   1.487  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.059  -1.008   0.452  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -3.245  -2.475  -0.878  0.00  0.00    +0.073 A 
ATOM     17  S   LIG    1       -2.578  -4.035  -0.773  0.00  0.00    -0.079 S 
ATOM     18  C   LIG    1       -4.104  -4.771  -1.033  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -4.219  -6.255  -1.061  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -5.098  -3.827  -1.193  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -4.599  -2.493  -1.101  0.00  0.00    +0.031 A 
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  C   LIG    1       -1.781   2.161  -0.892  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.090   3.020   0.317  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -1.457   4.263   0.476  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.747   5.076   1.573  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.684   4.665   2.518  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.336   3.444   2.362  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.046   2.630   1.266  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7