REMARK  Name = BDB002166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.554   1.556  -0.672  0.00  0.00    +0.066 C 
ATOM      2  S   LIG    1       -0.371   0.789   0.601  0.00  0.00    -0.090 S 
ATOM      3  C   LIG    1       -1.738   0.154  -0.393  0.00  0.00    +0.167 C 
ATOM      4  N   LIG    1       -1.203  -0.568  -1.512  0.00  0.00    -0.295 N 
ATOM      5  H   LIG    1       -1.780  -1.289  -1.927  0.00  0.00    +0.150 HD
ATOM      6  C   LIG    1       -0.295  -0.041  -2.380  0.00  0.00    +0.257 C 
ATOM      7  O   LIG    1       -0.175  -0.550  -3.491  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        0.510   1.141  -1.958  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.676  -0.707   0.425  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.308  -1.996   0.851  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.186  -2.777   1.605  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.441  -2.280   1.948  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.819  -1.003   1.540  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.943  -0.220   0.786  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   8  15
ATOM     15  C   LIG    1        1.253   1.781  -2.996  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1        1.836   2.342  -3.829  0.00  0.00    -0.191 NA
ENDBRANCH   8  15
BRANCH   1  17
ATOM     17  S   LIG    1        1.518   2.947  -0.185  0.00  0.00    -0.106 S 
BRANCH  17  18
ATOM     18  C   LIG    1        2.711   2.200   0.970  0.00  0.00    +0.195 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.584   1.137   0.335  0.00  0.00    +0.317 C 
ATOM     20  O   LIG    1        3.335   0.506  -0.683  0.00  0.00    -0.250 OA
BRANCH  19  22
ATOM     21  C   LIG    1        5.587  -0.051   0.610  0.00  0.00    +0.280 C 
ATOM     22  O   LIG    1        4.692   0.944   1.111  0.00  0.00    -0.467 OA
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6