REMARK  Name = BDB050339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.760  -0.500  -0.229  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -3.322  -1.800  -0.090  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -3.887  -2.561   0.257  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.007  -1.923  -0.474  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.575  -0.656  -0.856  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.247  -0.499  -1.295  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        0.611  -1.606  -1.336  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.145  -2.863  -0.948  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -1.173  -3.045  -0.507  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.677   0.227  -0.690  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -3.419   1.978   1.726  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -4.628   1.943   1.634  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -5.465   0.990   0.875  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -6.801   1.348   1.119  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -7.849   0.631   0.566  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -7.539  -0.460  -0.245  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.200  -0.817  -0.488  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -6.872   2.541   2.012  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -5.129  -0.094   0.072  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -5.487   2.823   2.261  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -5.128   3.559   2.853  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        1.873  -1.325  -1.786  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.862  -2.338  -1.623  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.230  -1.809  -2.055  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.953  -0.940  -1.012  0.00  0.00    +0.087 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.343   0.383  -0.857  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        3.536   0.524   0.365  0.00  0.00    +0.087 C 
ATOM     28  C   LIG    1        4.363   0.655   1.649  0.00  0.00    +0.046 C 
ATOM     29  C   LIG    1        5.416   1.753   1.542  0.00  0.00    +0.117 C 
ATOM     30  C   LIG    1        6.218   1.627   0.250  0.00  0.00    +0.046 C 
ATOM     31  C   LIG    1        5.300   1.489  -0.966  0.00  0.00    +0.087 C 
BRANCH  29  32
ATOM     32  O   LIG    1        4.773   3.025   1.602  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1        5.463   3.709   1.569  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7