REMARK  Name = BDB050347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.565  -0.237  -0.670  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -1.873   0.288  -1.740  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -2.303   0.651  -2.578  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -0.517   0.272  -1.509  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -0.329  -0.267  -0.240  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.984  -0.391   0.253  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.068   0.024  -0.532  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.844   0.559  -1.802  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.545   0.694  -2.313  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.616  -0.577   0.277  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -3.446   1.088   2.079  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.527   0.731   1.657  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -4.837   0.050   0.383  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -6.232  -0.115   0.346  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -6.856  -0.708  -0.738  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -6.059  -1.141  -1.796  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.662  -0.975  -1.758  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -6.859   0.427   1.586  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -4.019  -0.370  -0.661  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -5.724   0.915   2.318  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -5.752   1.381   3.215  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        3.290  -0.151   0.061  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.435   0.310  -0.655  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.668   0.105   0.196  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        6.801  -0.532  -0.329  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        7.948  -0.694   0.451  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.976  -0.215   1.760  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.859   0.426   2.291  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.712   0.588   1.512  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 4