REMARK  Name = BDB013741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.257  -0.339  -1.707  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.852   0.362  -0.889  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.896   1.030  -1.553  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.892   1.688  -0.830  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.851   1.676   0.567  0.00  0.00    +0.094 A 
ATOM      6  C   LIG    1        1.817   1.032   1.247  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.826   0.375   0.519  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  S   LIG    1        4.125   2.517   1.478  0.00  0.00    +0.025 S 
ATOM      9  O   LIG    1        3.734   2.544   2.876  0.00  0.00    -0.164 OA
ATOM     10  O   LIG    1        4.401   3.753   0.768  0.00  0.00    -0.164 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.572   1.488   1.369  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1        5.612   0.294   2.096  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        6.743  -0.517   2.015  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.824  -0.133   1.219  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.782   1.067   0.506  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.655   1.885   0.581  0.00  0.00    +0.027 A 
ENDBRANCH   8  11
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  N   LIG    1       -0.555  -1.696  -1.148  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        0.639  -2.560  -1.190  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1       -1.625  -2.392  -1.864  0.00  0.00    +0.105 C 
ENDBRANCH   1  17
BRANCH   1  21
ATOM     20  C   LIG    1       -2.248   0.536  -3.175  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -1.427   0.724  -1.900  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.228   0.946  -0.693  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1       -1.651   1.189   0.115  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.392   0.306  -0.310  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1       -3.603   0.162   1.158  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1       -4.747  -0.449   1.607  0.00  0.00    +0.070 A 
ATOM     27  C   LIG    1       -4.926  -0.575   2.985  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -3.946  -0.079   3.845  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.822   0.523   3.295  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -5.726  -0.940   0.635  0.00  0.00    +0.276 A 
ATOM     31  O   LIG    1       -6.749  -1.480   1.048  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.413  -0.752  -0.707  0.00  0.00    -0.230 N 
ATOM     33  C   LIG    1       -6.337  -1.181  -1.740  0.00  0.00    +0.176 C 
ATOM     34  N   LIG    1       -2.618   0.658   1.967  0.00  0.00    -0.251 NA
ATOM     35  N   LIG    1       -4.275  -0.129  -1.161  0.00  0.00    -0.151 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7