REMARK  Name = BDB050786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.319  -0.192  -2.137  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1       -1.129  -1.255  -2.232  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.157  -1.332  -1.375  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.356  -0.340  -0.430  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.493   0.738  -0.416  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -0.463   0.814  -1.265  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.999  -2.454  -1.414  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -4.449  -2.164  -1.374  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -5.291  -3.310  -1.986  0.00  0.00    +0.100 C 
ATOM     10  N   LIG    1       -4.786  -4.647  -1.637  0.00  0.00    -0.313 NA
ATOM     11  H   LIG    1       -4.730  -4.688  -0.618  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1       -3.402  -4.798  -2.141  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -2.608  -3.490  -2.389  0.00  0.00    +0.121 C 
ENDBRANCH   3   7
BRANCH   5  14
ATOM     14  N   LIG    1       -1.592   1.801   0.488  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1       -0.747   2.367   0.420  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.638   2.264   1.208  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1       -3.953   2.009   0.926  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -4.331   1.481   0.151  0.00  0.00    +0.190 HD
ATOM     19  N   LIG    1       -4.817   2.581   1.781  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -4.031   3.284   2.606  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -4.624   4.091   3.698  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1       -2.663   3.133   2.275  0.00  0.00    +0.068 A 
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  S   LIG    1        1.041  -0.115  -3.280  0.00  0.00    -0.050 S 
BRANCH  23  27
ATOM     24  C   LIG    1        4.569   0.224  -0.348  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.940  -1.008  -0.567  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        2.866  -1.115  -1.458  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.402   0.013  -2.139  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        3.034   1.240  -1.931  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.108   1.346  -1.038  0.00  0.00    +0.024 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.399   1.337   0.959  0.00  0.00    +0.217 C 
ATOM     31  N   LIG    1        5.641   0.244   0.568  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        5.877  -0.644   0.991  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        6.263   2.494   0.580  0.00  0.00    -0.275 OA
BRANCH  30  35
ATOM     34  C   LIG    1        8.320   2.109   2.413  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        7.470   0.934   1.961  0.00  0.00    +0.093 C 
ENDBRANCH  30  35
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 7