REMARK  Name = BDB001637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.917   2.548   1.012  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.380   2.327   0.629  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.949   3.160   0.555  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.250   3.645   1.458  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.050  -0.296   0.393  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -3.182   0.020  -0.655  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.150   0.944  -0.458  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.976   1.541   0.796  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.860   1.253   1.838  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.886   0.328   1.635  0.00  0.00    +0.046 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.323  -1.822  -0.913  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.092  -1.180   0.334  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  13
ATOM     13  C   LIG    1        1.109   1.170   0.537  0.00  0.00    +0.165 A 
ATOM     14  S   LIG    1        0.561  -0.329   1.134  0.00  0.00    -0.060 S 
ATOM     15  C   LIG    1        2.050  -1.047   0.683  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        2.878  -0.090   0.136  0.00  0.00    +0.087 A 
ATOM     17  N   LIG    1        2.335   1.182   0.073  0.00  0.00    -0.224 NA
BRANCH  16  18
ATOM     18  C   LIG    1        4.334  -0.380  -0.381  0.00  0.00    +0.038 A 
ATOM     19  S   LIG    1        5.335   0.831  -1.054  0.00  0.00    -0.095 S 
ATOM     20  C   LIG    1        6.609  -0.280  -1.314  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        6.279  -1.550  -0.897  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        4.959  -1.609  -0.356  0.00  0.00    +0.017 A 
ENDBRANCH  16  18
ENDBRANCH   2  13
TORSDOF 4