REMARK  Name = BDB032566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.902  -1.834   2.691  0.00  0.00    +0.081 S 
ATOM      2  O   LIG    1       -1.571  -3.051   3.118  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.713  -0.747   3.627  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.719  -1.297   1.212  0.00  0.00    +0.192 A 
ATOM      5  C   LIG    1       -2.391  -0.066   1.141  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -3.037   0.333  -0.055  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.951  -0.515  -1.174  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -2.288  -1.739  -1.104  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -1.704  -2.145   0.095  0.00  0.00    +0.150 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.816   1.581  -0.172  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -3.461   2.567  -1.108  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.201   3.746  -1.227  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.310   3.957  -0.412  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.679   2.991   0.521  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.939   1.813   0.639  0.00  0.00    +0.008 A 
ENDBRANCH   6  10
BRANCH   5  16
ATOM     16  O   LIG    1       -2.513   0.715   2.262  0.00  0.00    -0.492 OA
ATOM     17  C   LIG    1       -1.625   1.836   2.223  0.00  0.00    +0.277 C 
ENDBRANCH   5  16
BRANCH   9  18
ATOM     18  O   LIG    1       -1.068  -3.361   0.138  0.00  0.00    -0.493 OA
ATOM     19  C   LIG    1       -2.013  -4.434   0.072  0.00  0.00    +0.277 C 
ENDBRANCH   9  18
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  N   LIG    1        0.623  -2.314   2.183  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        0.720  -3.323   2.130  0.00  0.00    +0.175 HD
BRANCH  20  25
ATOM     22  C   LIG    1        3.211  -0.852   0.252  0.00  0.00    +0.173 A 
ATOM     23  O   LIG    1        2.390   0.209   0.493  0.00  0.00    -0.353 OA
ATOM     24  N   LIG    1        1.313  -0.199   1.256  0.00  0.00    -0.061 NA
ATOM     25  C   LIG    1        1.490  -1.503   1.471  0.00  0.00    +0.181 A 
ATOM     26  C   LIG    1        2.680  -1.961   0.868  0.00  0.00    +0.098 A 
BRANCH  22  28
ATOM     27  C   LIG    1        4.457   0.325  -1.587  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        4.419  -0.589  -0.519  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        5.602  -1.273  -0.191  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        6.782  -1.056  -0.908  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.797  -0.160  -1.973  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.634   0.524  -2.319  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        3.373   2.359  -1.726  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        3.308   0.958  -1.994  0.00  0.00    -0.494 OA
ENDBRANCH  27  34
ENDBRANCH  22  28
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 8