REMARK  Name = BDB032576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.564  -0.032   1.499  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.794   1.108   0.825  0.00  0.00    -0.076 NA
ATOM      3  O   LIG    1       -2.062   1.521   1.179  0.00  0.00    -0.338 OA
ATOM      4  C   LIG    1       -2.616   0.618   2.027  0.00  0.00    +0.237 A 
ATOM      5  C   LIG    1       -1.708  -0.378   2.269  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        1.273  -1.502   2.416  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        0.704  -0.760   1.361  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.376  -0.705   0.123  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        2.585  -1.382  -0.084  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1        3.125  -2.127   0.965  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.477  -2.188   2.201  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        1.312  -1.977   4.758  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        0.603  -1.515   3.614  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  C   LIG    1        3.293  -1.300  -1.416  0.00  0.00    +0.038 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.555  -0.413  -1.396  0.00  0.00    -0.007 C 
ATOM     16  C   LIG    1        5.328  -0.583  -2.715  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        6.568   0.305  -2.769  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        6.218   1.770  -2.532  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        5.455   1.957  -1.226  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        4.213   1.069  -1.164  0.00  0.00    +0.004 C 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  N   LIG    1       -3.954   0.674   2.588  0.00  0.00    -0.183 N 
ATOM     22  H   LIG    1       -4.324  -0.191   2.979  0.00  0.00    +0.177 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -5.113   1.456   1.634  0.00  0.00    +0.082 S 
ATOM     24  O   LIG    1       -6.403   1.108   2.200  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.703   2.840   1.525  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.008   0.636   0.065  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -5.044  -0.766   0.029  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -4.899  -1.446  -1.185  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.778  -0.730  -2.373  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.794   0.664  -2.347  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.893   1.351  -1.131  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.155  -1.495   1.187  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -6.427  -2.150   1.255  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.993   2.713  -1.161  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -3.756   3.326  -1.532  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 9