REMARK  Name = BDB035977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.536  -1.616   0.991  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.641  -1.164   0.353  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.522  -2.222   0.498  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.846  -2.223   0.040  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.316  -1.068  -0.624  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.428  -0.009  -0.820  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.651   1.320  -1.445  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        1.202   1.776  -1.607  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        0.383   1.082  -0.643  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.894  -3.245   1.137  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.115  -0.055  -0.344  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.415  -2.880   1.412  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.754  -0.961   1.139  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -2.481  -1.587   1.488  0.00  0.00    +0.175 HD
BRANCH  13  16
ATOM     15  O   LIG    1       -0.509   0.896   2.394  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1       -1.842   0.478   2.009  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -2.864   0.298   3.021  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.481   1.664   0.839  0.00  0.00    +0.116 A 
ATOM     19  C   LIG    1       -3.594   1.390   0.019  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -4.013   2.399  -0.871  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -3.359   3.632  -0.941  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.268   3.887  -0.120  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -1.829   2.908   0.770  0.00  0.00    +0.029 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -4.348   0.129   0.031  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.182  -0.811  -0.999  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.887  -2.016  -0.990  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.776  -2.294   0.046  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.964  -1.366   1.068  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.260  -0.161   1.057  0.00  0.00    +0.008 A 
ENDBRANCH  19  24
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   5  30
ATOM     30  C   LIG    1        4.747  -1.013  -1.102  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.688  -1.017   0.011  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.410  -2.125   0.282  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        7.154  -1.768   1.332  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        6.927  -0.435   1.722  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.979   0.030   0.843  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6