REMARK  Name = BDB050787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803  -1.167   1.011  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1       -1.468  -2.269   0.638  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.221  -2.200  -0.468  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.299  -1.022  -1.192  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.607   0.082  -0.729  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -0.840   0.011   0.369  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.921  -3.338  -0.915  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.566  -4.601  -0.225  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.577  -4.939   0.891  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.981  -5.075   0.429  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.399  -6.473   0.368  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -5.184  -4.414  -0.879  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -4.383  -3.100  -1.023  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   5  14
ATOM     14  N   LIG    1       -1.669   1.276  -1.493  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1       -2.556   1.373  -1.977  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -0.953   2.406  -1.270  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        0.150   2.458  -0.460  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        0.545   1.686   0.068  0.00  0.00    +0.190 HD
ATOM     19  N   LIG    1        0.706   3.685  -0.372  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -0.057   4.434  -1.177  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        0.246   5.872  -1.365  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1       -1.105   3.681  -1.761  0.00  0.00    +0.068 A 
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  S   LIG    1        0.175  -1.304   2.496  0.00  0.00    -0.050 S 
BRANCH  23  27
ATOM     24  C   LIG    1        3.503   1.689   1.472  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.574   0.373   1.017  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        2.574  -0.548   1.350  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        1.492  -0.162   2.145  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        1.440   1.143   2.639  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        2.435   2.063   2.296  0.00  0.00    +0.024 A 
BRANCH  24  31
ATOM     30  C   LIG    1        5.564   2.568   0.345  0.00  0.00    +0.217 C 
ATOM     31  N   LIG    1        4.431   2.693   1.131  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        4.208   3.624   1.463  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        6.000   1.536  -0.151  0.00  0.00    -0.275 OA
BRANCH  30  35
ATOM     34  C   LIG    1        7.501   3.812  -0.704  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        6.255   3.911   0.159  0.00  0.00    +0.093 C 
ENDBRANCH  30  35
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 7