REMARK  Name = BDB064298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   0.699  -0.405  0.00  0.00    +0.191 C 
ATOM      2  N   LIG    1        0.277   1.877  -0.915  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        1.625   1.922  -0.678  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        2.430   2.811  -0.882  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.892   0.607  -0.044  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        3.121   0.229   0.332  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.713  -0.076   0.102  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.475  -1.041   0.987  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        4.487  -1.026   1.960  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        4.856  -2.236   2.576  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.255  -3.450   2.239  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        4.721  -4.558   2.930  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        5.656  -4.184   3.773  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.254  -3.455   1.250  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        6.039  -2.516   3.798  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        2.880  -2.255   0.631  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
BRANCH   2  17
ATOM     17  C   LIG    1       -0.501   3.030  -1.381  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1        0.038   3.638  -2.693  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        0.610   5.042  -2.519  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -0.396   6.002  -1.885  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -1.261   5.363  -0.798  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -0.661   4.070  -0.259  0.00  0.00    +0.023 C 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  N   LIG    1       -1.536   0.401  -0.451  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1       -1.970   0.740  -1.303  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.085  -0.932  -0.125  0.00  0.00    +0.099 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.627  -1.959  -1.179  0.00  0.00    +0.181 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.257  -1.883  -2.918  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1       -1.951  -1.502  -2.506  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1       -1.808  -1.308   1.345  0.00  0.00    +0.027 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.551  -2.520   1.950  0.00  0.00    -0.015 C 
ATOM     31  C   LIG    1       -1.820  -3.844   1.721  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.015  -2.623   1.529  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8