REMARK  Name = BDB049562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.538  -2.257  -1.426  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.751  -3.473  -2.254  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1       -1.701  -3.707  -2.978  0.00  0.00    -0.270 OA
ATOM      4  N   LIG    1        0.320  -4.310  -2.058  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1        0.382  -5.202  -2.528  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1        1.272  -3.772  -1.143  0.00  0.00    +0.141 C 
ATOM      7  C   LIG    1        0.628  -2.474  -0.788  0.00  0.00    -0.009 C 
ENDROOT
BRANCH   7   8
ATOM      8  C   LIG    1        1.282  -1.674   0.186  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.797  -1.297   1.474  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.769  -0.474   2.054  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        1.607   0.075   3.338  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        0.431  -0.216   4.036  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.551  -1.026   3.477  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        2.790  -0.346   1.132  0.00  0.00    -0.343 N 
ATOM     15  C   LIG    1       -0.380  -1.572   2.201  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.517  -1.093   0.013  0.00  0.00    +0.095 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.986   0.469   1.303  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.727   1.941   0.978  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.687   2.132  -0.445  0.00  0.00    -0.388 OA
ATOM     20  H   LIG    1        3.866   3.083  -0.594  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        4.837   2.831   1.545  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.575   4.187   1.178  0.00  0.00    -0.392 OA
ATOM     23  H   LIG    1        3.845   4.511   1.736  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   7   8
BRANCH   1  28
ATOM     24  C   LIG    1       -3.723  -0.227  -1.230  0.00  0.00    +0.166 A 
ATOM     25  C   LIG    1       -3.195   1.073  -1.164  0.00  0.00    +0.204 A 
ATOM     26  C   LIG    1       -1.810   1.296  -1.168  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1       -0.953   0.200  -1.286  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1       -1.453  -1.112  -1.340  0.00  0.00    -0.005 A 
ATOM     29  C   LIG    1       -2.843  -1.310  -1.318  0.00  0.00    +0.058 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -5.652  -1.624  -1.369  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.091  -0.330  -1.199  0.00  0.00    -0.491 OA
ENDBRANCH  24  31
BRANCH  25  32
ATOM     32  O   LIG    1       -4.051   2.145  -1.023  0.00  0.00    -0.488 OA
ATOM     33  C   LIG    1       -4.410   2.644  -2.310  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
BRANCH  26  34
ATOM     34  O   LIG    1       -1.392   2.600  -1.083  0.00  0.00    -0.491 OA
ATOM     35  C   LIG    1       -0.027   2.810  -0.740  0.00  0.00    +0.277 C 
ENDBRANCH  26  34
ENDBRANCH   1  28
TORSDOF 10