REMARK  Name = BDB023316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.495  -0.717  -2.202  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.169  -1.671  -2.286  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.230   0.236  -1.476  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.259   1.297  -1.115  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.589  -0.179  -1.187  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.337   0.622  -0.359  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.563   0.051  -0.224  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.629  -1.120  -0.959  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.829  -1.840  -0.927  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.907  -1.366  -0.173  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.818  -0.170   0.554  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.953  -2.985  -1.611  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.614   0.557   0.541  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.360  -1.264  -1.579  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.915   0.285   1.319  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.189   1.636   1.725  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.607   1.160   2.054  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        8.306  -0.001   1.101  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.122  -0.593  -2.507  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.537  -1.892  -3.000  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.345   0.593  -3.304  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.639  -1.315   0.095  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.856  -0.375  -0.913  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.669   0.742  -0.681  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.265   0.937   0.575  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.025  -0.005   1.586  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.211  -1.118   1.352  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.145   2.147   0.859  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -4.341   3.445   0.721  0.00  0.00    +0.012 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.402   2.130  -0.034  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -7.430   3.184   0.352  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  25  28
BRANCH  22  32
ATOM     32  O   LIG    1       -1.797  -2.374  -0.118  0.00  0.00    -0.490 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -1.601  -4.692  -0.646  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1       -2.494  -3.626  -0.038  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8