REMARK  Name = BDB033784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.092  -1.796  -0.698  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -1.200  -1.244  -0.198  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.024  -2.047   0.505  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.785  -3.378   0.726  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.616  -3.846   0.181  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        0.239  -3.079  -0.523  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.709  -4.245   1.492  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.291  -5.545   1.541  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.965  -4.296   0.966  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -2.851  -3.867   2.791  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.725  -0.945  -1.421  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.447   0.002  -1.191  0.00  0.00    +0.149 HD
BRANCH  11  16
ATOM     13  N   LIG    1        4.366   0.737  -0.965  0.00  0.00    -0.166 NA
ATOM     14  C   LIG    1        3.356   0.913  -2.047  0.00  0.00    +0.112 C 
ATOM     15  C   LIG    1        2.825  -0.421  -2.549  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1        2.158  -1.228  -1.424  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        2.776  -0.914  -0.055  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1        4.242  -0.535  -0.203  0.00  0.00    +0.112 C 
BRANCH  13  19
ATOM     19  S   LIG    1        5.941   1.167  -1.395  0.00  0.00    +0.097 S 
ATOM     20  O   LIG    1        5.928   2.495  -1.960  0.00  0.00    -0.141 OA
ATOM     21  O   LIG    1        6.548   0.056  -2.085  0.00  0.00    -0.141 OA
BRANCH  19  23
ATOM     22  C   LIG    1        6.218   2.382   0.965  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1        6.658   1.267   0.116  0.00  0.00    -0.183 NA
ATOM     24  H   LIG    1        7.671   1.254  -0.012  0.00  0.00    +0.149 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -3.190  -1.524   1.023  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.398  -0.106   0.838  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -4.227   0.368   2.055  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -5.030   1.656   1.872  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.261   2.842   1.290  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -3.617   2.632  -0.082  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -4.285   1.573  -0.956  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -4.115   0.116  -0.501  0.00  0.00    +0.047 C 
BRANCH  27  33
ATOM     33  O   LIG    1       -3.365   0.523   3.193  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -2.686   1.183   2.974  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8