REMARK  Name = BDB015377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.239  -0.470   0.273  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.722  -1.177   1.375  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -0.712  -2.614   1.046  0.00  0.00    +0.161 C 
ATOM      4  C   LIG    1       -1.069  -2.590  -0.443  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1        0.099  -2.993  -1.334  0.00  0.00    +0.034 C 
ATOM      6  N   LIG    1       -1.456  -1.198  -0.778  0.00  0.00    -0.250 NA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -4.218   1.509  -0.002  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1       -3.536   2.131   1.143  0.00  0.00    +0.103 C 
ATOM      9  C   LIG    1       -2.230   1.390   1.540  0.00  0.00    +0.123 C 
ATOM     10  N   LIG    1       -1.468   0.876   0.374  0.00  0.00    -0.300 N 
ATOM     11  C   LIG    1       -1.811   1.593  -0.865  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.321   1.475  -1.183  0.00  0.00    +0.103 C 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.570   1.896   0.731  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -5.505   2.123  -0.337  0.00  0.00    +0.081 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  S   LIG    1        0.499  -0.656   2.414  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1        0.716  -1.706   3.394  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.276   0.702   2.860  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.927  -0.627   1.348  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        2.105   0.448   0.476  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.222   0.479  -0.360  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.176  -0.551  -0.323  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        3.991  -1.612   0.579  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.875  -1.650   1.417  0.00  0.00    +0.029 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.397  -0.537  -1.227  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        5.002  -0.588  -2.705  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        6.295   0.670  -0.943  0.00  0.00    +0.012 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH   2  15
TORSDOF 5