REMARK  Name = BDB033771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.052   0.491   0.615  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -2.317   0.053   0.665  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -3.297   0.975   0.697  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -3.074   2.326   0.674  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.751   2.682   0.625  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.738   1.793   0.595  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.170   3.321   0.701  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -5.017   3.214  -0.360  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.944   3.240   1.818  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.716   4.608   0.670  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -0.086  -0.509   0.574  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.546  -1.409   0.578  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.123  -0.664   0.429  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        3.370  -1.836   0.410  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        1.974  -1.753   0.459  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.312  -0.513   0.533  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        2.097   0.645   0.558  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.494   0.578   0.510  0.00  0.00    +0.030 A 
BRANCH  13  20
ATOM     19  O   LIG    1        6.296  -2.127   0.360  0.00  0.00    -0.153 OA
ATOM     20  S   LIG    1        5.894  -0.736   0.381  0.00  0.00    +0.059 S 
ATOM     21  O   LIG    1        6.399   0.195   1.366  0.00  0.00    -0.153 OA
BRANCH  20  22
ATOM     22  N   LIG    1        6.198  -0.143  -1.187  0.00  0.00    -0.187 NA
ATOM     23  H   LIG    1        6.300  -0.950  -1.806  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        7.347   0.771  -1.279  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        8.738   0.259  -1.513  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        8.023   1.009  -2.600  0.00  0.00    +0.022 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  27
ATOM     27  O   LIG    1       -4.609   0.549   0.731  0.00  0.00    -0.470 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.783  -0.868   0.869  0.00  0.00    +0.203 C 
ATOM     29  C   LIG    1       -4.713  -1.587  -0.487  0.00  0.00    +0.155 C 
ATOM     30  C   LIG    1       -6.051  -1.263  -1.151  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -7.044  -1.046  -0.007  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -6.236  -1.103   1.290  0.00  0.00    +0.047 C 
BRANCH  29  33
ATOM     33  O   LIG    1       -4.577  -2.999  -0.318  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -5.419  -3.360   0.009  0.00  0.00    +0.210 HD
ENDBRANCH  29  33
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 9