REMARK  Name = BDB021700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.094  -0.003  -1.800  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.172  -0.619  -1.157  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.891  -1.174   0.069  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.921  -1.273   0.301  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.287  -0.652  -1.675  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.727   0.226   0.166  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.032  -1.059   0.074  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.091  -1.081  -1.137  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.277   0.214  -1.274  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -0.330   1.067  -0.009  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.784   1.346   0.387  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.869   0.265   1.127  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -4.625   1.602   0.992  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.859  -0.917   0.933  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.829  -0.913   3.297  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.123  -0.911   1.805  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.791  -1.750   0.992  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        4.182  -1.696   0.869  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        5.012  -2.291   1.830  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.438  -2.916   2.941  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.052  -2.967   3.079  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.234  -2.388   2.109  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  S   LIG    1        6.795  -2.238   1.713  0.00  0.00    -0.129 S 
ATOM     24  C   LIG    1        7.029  -2.747  -0.014  0.00  0.00    +0.090 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.378   0.615  -3.102  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.528   2.117  -3.011  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.651   2.682  -2.391  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.787   4.067  -2.294  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.802   4.904  -2.815  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.681   4.356  -3.436  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.544   2.970  -3.534  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 8