REMARK  Name = BDB039798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.071   2.471   0.508  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -2.646   2.579   1.834  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.786   3.647  -0.281  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -4.460   1.789  -0.724  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1       -3.139   1.391  -0.426  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -2.668   0.137  -0.853  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -3.487  -0.728  -1.594  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -4.795  -0.332  -1.889  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.273   0.906  -1.458  0.00  0.00    +0.006 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -5.941   2.934   0.960  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.077   3.098  -0.283  0.00  0.00    +0.034 C 
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  C   LIG    1       -2.973  -2.067  -2.067  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -3.542  -3.163  -1.295  0.00  0.00    -0.267 N 
ATOM     14  N   LIG    1       -4.560  -3.891  -1.799  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -4.808  -4.792  -0.846  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1       -3.943  -4.659   0.256  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -3.127  -3.601  -0.066  0.00  0.00    +0.108 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1       -0.647   1.658   0.773  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1       -0.481   1.513   1.761  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1        0.378   1.551  -0.176  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1        0.165   1.669  -1.373  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.663   1.208   0.400  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        2.673   0.865  -0.463  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        3.775   0.580   0.279  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        3.497   0.728   1.626  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        4.524   0.476   2.542  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.781   0.074   2.047  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        6.057  -0.093   0.672  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1        5.015   0.189  -0.232  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        2.140   1.138   1.701  0.00  0.00    +0.063 A 
BRANCH  28  31
ATOM     31  N   LIG    1        7.335  -0.482   0.238  0.00  0.00    -0.336 N 
ATOM     32  C   LIG    1        7.589  -0.624  -1.195  0.00  0.00    +0.129 C 
ATOM     33  C   LIG    1        8.094  -1.393   1.099  0.00  0.00    +0.129 C 
ENDBRANCH  28  31
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 7