REMARK  Name = BDB031188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.149  -1.417  -0.128  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.581  -1.148   1.011  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.885   0.149   1.627  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1        1.404  -0.222   3.016  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        2.101  -1.560   2.788  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.202  -2.234   1.751  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.308  -2.581  -0.505  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.936   0.885   0.825  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1        1.980   2.607   0.851  0.00  0.00    -0.078 S 
ATOM     10  C   LIG    1        3.307   2.578  -0.230  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        3.638   1.275  -0.546  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.723   0.825  -1.454  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        2.850   0.315   0.065  0.00  0.00    -0.247 NA
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  O   LIG    1        2.177  -2.279   4.008  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        2.570  -3.147   3.811  0.00  0.00    +0.210 HD
ENDBRANCH   5  14
BRANCH   1  16
ATOM     16  C   LIG    1       -0.778  -0.236  -0.893  0.00  0.00    +0.146 C 
BRANCH  16  20
ATOM     17  C   LIG    1       -3.875   0.856   0.753  0.00  0.00    +0.255 A 
ATOM     18  N   LIG    1       -4.123  -0.436   0.534  0.00  0.00    -0.040 NA
ATOM     19  O   LIG    1       -2.985  -0.920  -0.096  0.00  0.00    -0.355 OA
ATOM     20  C   LIG    1       -2.077   0.090  -0.229  0.00  0.00    +0.153 A 
ATOM     21  C   LIG    1       -2.609   1.246   0.295  0.00  0.00    +0.115 A 
BRANCH  17  23
ATOM     22  C   LIG    1       -5.992   1.026   1.714  0.00  0.00    +0.279 C 
ATOM     23  O   LIG    1       -4.772   1.667   1.356  0.00  0.00    -0.478 OA
ENDBRANCH  17  23
ENDBRANCH  16  20
BRANCH  16  24
ATOM     24  C   LIG    1       -0.956  -0.559  -2.403  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        0.409  -0.782  -3.074  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1       -1.685   0.563  -3.156  0.00  0.00    +0.008 C 
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 6