REMARK  Name = BDB032612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.199  -2.699   1.162  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.028  -3.205   2.012  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.667  -1.762   0.627  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.401  -1.002  -0.435  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.507  -0.190  -0.607  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.428  -0.462   0.360  0.00  0.00    +0.173 A 
ATOM      7  C   LIG    1       -1.935  -1.462   1.165  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.673   0.291   0.310  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.721   1.657  -0.018  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -4.937   2.350  -0.028  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.125   1.680   0.256  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.099   0.323   0.567  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.882  -0.364   0.600  0.00  0.00    +0.015 A 
BRANCH   9  14
ATOM     14  O   LIG    1       -2.555   2.352  -0.228  0.00  0.00    -0.494 OA
ATOM     15  C   LIG    1       -2.450   2.784  -1.586  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.604  -3.219   0.412  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        1.242  -3.676  -0.911  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.218  -4.121   1.368  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.205   0.548   0.357  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        4.132  -0.265  -0.778  0.00  0.00    +0.093 A 
ATOM     21  C   LIG    1        3.335  -1.415  -0.789  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1        2.627  -1.773   0.355  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        2.711  -0.971   1.504  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        3.492   0.190   1.500  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.113   2.512   1.346  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.011   1.645   0.223  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1        3.363  -2.215  -1.897  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        2.603  -1.640  -2.962  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  22
ENDBRANCH   1  16
TORSDOF 7