REMARK  Name = BDB023737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182   1.202   0.300  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.910   0.562   0.859  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.287   0.906   0.471  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -3.168   0.147   1.471  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -2.286   0.012   2.701  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.906  -0.223   2.092  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1        0.012   2.009  -0.621  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.670   0.520  -0.974  0.00  0.00    +0.139 C 
ATOM      9  N   LIG    1       -1.699   0.401  -1.962  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.934   1.076  -1.870  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -2.343   0.317  -3.269  0.00  0.00    +0.298 C 
ATOM     12  S   LIG    1       -4.120   0.099  -2.897  0.00  0.00    +0.087 S 
ATOM     13  O   LIG    1       -4.867   1.190  -3.488  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -4.490  -1.286  -3.108  0.00  0.00    -0.150 OA
ATOM     15  N   LIG    1       -3.932   0.375  -1.287  0.00  0.00    -0.120 NA
ENDBRANCH   3   8
BRANCH   5  16
ATOM     16  O   LIG    1       -2.693  -1.067   3.520  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1       -3.626  -0.925   3.761  0.00  0.00    +0.210 HD
ENDBRANCH   5  16
BRANCH   1  18
ATOM     18  C   LIG    1        1.591   0.856   0.819  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1        2.159  -4.022  -0.644  0.00  0.00    +0.069 C 
ATOM     20  C   LIG    1        2.149  -2.705   0.030  0.00  0.00    +0.081 A 
ATOM     21  N   LIG    1        2.689  -2.567   1.247  0.00  0.00    -0.083 NA
ATOM     22  O   LIG    1        2.512  -1.242   1.591  0.00  0.00    -0.359 OA
ATOM     23  C   LIG    1        1.872  -0.590   0.582  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        1.619  -1.482  -0.435  0.00  0.00    +0.071 A 
ENDBRANCH  18  23
BRANCH  18  25
ATOM     25  C   LIG    1        2.687   1.791   0.234  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.047   1.522  -1.233  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        3.963   1.750   1.085  0.00  0.00    +0.008 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 5