REMARK  Name = BDB033764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.432   2.867  -0.877  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.364   2.037  -0.192  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        1.377   2.583   0.510  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.646   3.926   0.544  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.772   4.698  -0.177  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.259   4.197  -0.889  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.788   4.502   1.291  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        3.990   3.967   0.938  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        2.685   4.363   2.640  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        2.925   5.846   1.079  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -1.482   2.405  -1.664  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -1.924   3.196  -2.110  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -3.164  -1.361  -2.527  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -3.523  -0.239  -3.270  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.963   1.002  -2.950  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.049   1.147  -1.890  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -1.717   0.002  -1.157  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.275  -1.245  -1.459  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1       -3.872  -2.941  -2.920  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -5.147  -2.712  -3.560  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -3.739  -3.794  -1.759  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -1.432  -3.712  -3.838  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -2.844  -3.511  -4.113  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1       -3.147  -3.314  -5.065  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1        2.225   1.756   1.214  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.806   0.382   1.345  0.00  0.00    +0.206 C 
ATOM     27  C   LIG    1        0.693   0.256   2.410  0.00  0.00    +0.180 C 
ATOM     28  C   LIG    1        0.300  -1.194   2.703  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        1.343  -1.804   3.465  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        2.242  -2.610   2.720  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        2.893  -1.923   1.524  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        3.082  -0.415   1.669  0.00  0.00    +0.049 C 
BRANCH  27  33
ATOM     33  O   LIG    1        1.101   0.876   3.642  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1        1.582   0.185   4.139  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8