REMARK  Name = BDB033714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.921   0.071   1.600  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -2.689   0.487   2.890  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -1.385   0.808   3.167  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -0.391   0.735   2.256  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.717   0.330   1.023  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.957  -0.014   0.660  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.706   0.588   3.879  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -4.513   0.683   4.707  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.241   0.248   0.023  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.164  -0.356  -0.685  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.599  -0.093   0.452  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.334   1.154   0.978  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.712   1.350   0.358  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.432   0.065   0.355  0.00  0.00    -0.181 NA
ATOM     15  C   LIG    1        3.783  -1.046  -0.372  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.339  -0.717  -0.736  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        6.128   0.071   0.446  0.00  0.00    +0.040 S 
ATOM     18  O   LIG    1        6.491   1.033   1.461  0.00  0.00    -0.158 OA
ATOM     19  O   LIG    1        6.541  -1.313   0.520  0.00  0.00    -0.158 OA
BRANCH  17  20
ATOM     20  C   LIG    1        6.567   0.718  -1.131  0.00  0.00    +0.298 C 
BRANCH  20  21
ATOM     21  C   LIG    1        8.053   0.764  -1.218  0.00  0.00    +0.410 C 
ATOM     22  F   LIG    1        8.617   1.565  -0.296  0.00  0.00    -0.169 F 
ATOM     23  F   LIG    1        8.397   1.275  -2.432  0.00  0.00    -0.169 F 
ATOM     24  F   LIG    1        8.626  -0.452  -1.146  0.00  0.00    -0.169 F 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  25
ATOM     25  O   LIG    1       -4.220  -0.249   1.256  0.00  0.00    -0.469 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.897   1.250  -1.558  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -4.941   0.271  -1.048  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -4.412  -0.783  -0.055  0.00  0.00    +0.206 C 
ATOM     29  C   LIG    1       -5.564  -1.792  -0.014  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -6.135  -1.809  -1.432  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.527  -0.603  -2.158  0.00  0.00    +0.038 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -6.011   1.027  -0.468  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -5.725   1.282   0.429  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 9