REMARK  Name = BDB003564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.476   0.915   0.628  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.798   0.379  -0.621  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.079  -0.161  -0.830  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -3.041  -0.179   0.195  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -2.695   0.369   1.440  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.430   0.919   1.655  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.379  -0.757  -0.035  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -5.561   0.015   0.053  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1       -6.806  -0.590  -0.170  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -6.890  -1.946  -0.490  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.734  -2.712  -0.589  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.490  -2.122  -0.362  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  O   LIG    1       -5.399   1.342   0.365  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1       -6.534   2.190   0.245  0.00  0.00    +0.277 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  N   LIG    1        1.796   0.713   1.550  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        0.827   1.515   0.954  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        0.966   2.713   0.733  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        1.598  -0.662   1.996  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        3.095   1.319   1.841  0.00  0.00    +0.143 C 
BRANCH  19  24
ATOM     20  C   LIG    1        5.915  -0.269  -0.133  0.00  0.00    +0.215 A 
ATOM     21  N   LIG    1        5.889   0.381  -1.315  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1        4.967   1.359  -1.447  0.00  0.00    +0.115 A 
ATOM     23  C   LIG    1        4.066   1.706  -0.455  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.098   1.012   0.758  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        5.051   0.003   0.917  0.00  0.00    +0.072 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.710  -1.474  -1.022  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        6.825  -1.286   0.078  0.00  0.00    -0.480 OA
ENDBRANCH  20  27
ENDBRANCH  19  24
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  S   LIG    1        0.333   0.391  -1.992  0.00  0.00    -0.005 S 
ATOM     29  O   LIG    1       -0.423  -0.003  -3.169  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1        1.067   1.638  -1.997  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1        1.461  -0.933  -1.661  0.00  0.00    +0.200 C 
ENDBRANCH   2  28
TORSDOF 7