REMARK  Name = BDB001210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.106   2.093   2.722  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        2.580   1.345   1.528  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.803   0.828   0.507  0.00  0.00    +0.013 A 
ATOM      4  S   LIG    1        2.808   0.058  -0.646  0.00  0.00    -0.072 S 
ATOM      5  C   LIG    1        4.205   0.453   0.283  0.00  0.00    +0.109 A 
ATOM      6  N   LIG    1        3.939   1.123   1.389  0.00  0.00    -0.244 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.570   0.070  -0.136  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        5.853  -0.646  -1.311  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        7.170  -0.981  -1.655  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        8.243  -0.604  -0.837  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        7.971   0.102   0.341  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.654   0.435   0.681  0.00  0.00    +0.011 A 
BRANCH  10  13
ATOM     13  C   LIG    1        9.657  -0.985  -1.198  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       10.005  -2.206  -0.707  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        9.865  -1.050  -2.543  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       10.587  -0.111  -0.722  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   3  17
ATOM     17  C   LIG    1        0.317   0.871   0.323  0.00  0.00    +0.049 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.365  -0.331   0.983  0.00  0.00    +0.040 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.864  -0.271   0.829  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -2.654   0.356   1.796  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.040   0.425   1.634  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.664  -0.122   0.508  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.877  -0.745  -0.457  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.487  -0.816  -0.299  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -6.019   0.029   0.502  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -6.838  -0.396  -0.588  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -6.995  -1.925  -0.576  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -8.227   0.205  -0.291  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.448   0.121  -1.986  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -6.359  -0.542  -3.009  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.192   1.446  -2.022  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -5.935   1.623  -2.951  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9