REMARK  Name = BDB015566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.756   0.805  -1.102  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.505   0.389  -0.909  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.683  -0.927  -0.683  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.365  -1.820  -0.668  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.603  -1.274  -0.903  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.840   0.023  -1.112  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.076  -1.377  -0.463  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.041  -0.887  -1.263  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.369  -1.261  -1.134  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.336  -0.689  -2.059  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.802  -2.167  -0.168  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.967  -2.534  -0.036  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.742  -2.699   0.750  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.190  -3.641   1.821  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.468  -2.306   0.584  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.766  -2.076  -0.854  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.655  -3.050  -1.130  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.616  -2.010   0.603  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.299  -3.285   0.659  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.714  -1.584   1.650  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.825  -0.736   0.252  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.585  -0.249   1.480  0.00  0.00    +0.058 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.420  -1.325   2.151  0.00  0.00    +0.215 C 
ATOM     24  F   LIG    1        5.603  -2.142   2.859  0.00  0.00    -0.249 F 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1        1.002   2.151  -1.351  0.00  0.00    -0.422 OA
BRANCH  25  28
ATOM     26  C   LIG    1        1.347   3.281   1.242  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        0.188   3.626   0.351  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1        0.032   3.026  -0.912  0.00  0.00    +0.152 A 
ATOM     29  C   LIG    1       -1.050   3.365  -1.739  0.00  0.00    +0.094 A 
ATOM     30  C   LIG    1       -2.004   4.282  -1.282  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -1.873   4.860  -0.020  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -0.785   4.534   0.791  0.00  0.00    +0.007 A 
BRANCH  29  33
ATOM     33  C   LIG    1       -1.210   2.780  -3.038  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -1.362   2.306  -4.087  0.00  0.00    -0.191 NA
ENDBRANCH  29  33
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 9