REMARK  Name = BDB003719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.114   2.257   1.624  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.394   0.975   2.084  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.542   0.545   2.188  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.708   0.097   2.521  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.173  -0.972   1.732  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.121  -1.837   2.303  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.620  -1.616   3.592  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.165  -0.539   4.346  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.199   0.312   3.819  0.00  0.00    +0.014 A 
BRANCH   5  10
ATOM     10  S   LIG    1        0.556  -1.225   0.069  0.00  0.00    -0.087 S 
BRANCH  10  11
ATOM     11  C   LIG    1        1.856  -2.100  -0.791  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.142  -1.586  -1.038  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        4.078  -2.357  -1.747  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.743  -3.626  -2.218  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.469  -4.135  -1.986  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.532  -3.376  -1.282  0.00  0.00    +0.016 A 
BRANCH  12  17
ATOM     17  C   LIG    1        3.555  -0.292  -0.576  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        3.934   0.736  -0.195  0.00  0.00    -0.191 NA
ENDBRANCH  12  17
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   2   4
BRANCH   1  20
ATOM     19  C   LIG    1        1.420   2.976  -0.205  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        1.226   2.753   1.287  0.00  0.00    +0.105 C 
ENDBRANCH   1  20
BRANCH   1  21
ATOM     21  C   LIG    1       -1.252   3.150   1.362  0.00  0.00    +0.204 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.858   3.025  -0.044  0.00  0.00    +0.235 C 
ATOM     23  N   LIG    1       -2.249   1.742  -0.366  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1       -2.175   1.035   0.370  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1       -2.027   4.029  -0.735  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -2.813   1.271  -1.571  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -3.220  -0.081  -1.608  0.00  0.00    +0.141 A 
ATOM     28  C   LIG    1       -3.777  -0.609  -2.777  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -3.933   0.198  -3.905  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.532   1.531  -3.871  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -2.973   2.066  -2.708  0.00  0.00    +0.027 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -3.029  -0.785  -0.444  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.455  -2.139  -0.417  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9