REMARK  Name = BDB049968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.690  -1.743  -0.023  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.048  -0.888   1.008  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -1.308  -0.541   0.365  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.338   0.029   1.104  0.00  0.00    +0.268 C 
ATOM      5  O   LIG    1       -2.155   0.329   2.287  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.286  -0.881  -1.051  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.177  -1.184  -1.353  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.678  -4.405   0.730  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        4.089  -3.047   0.492  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        2.746  -2.972   0.345  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.187  -1.758   0.127  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        2.953  -0.598   0.047  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.340  -0.680   0.197  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.913  -1.931   0.426  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.178   0.506   0.127  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.895   1.642  -0.605  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        5.941   2.498  -0.407  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        6.103   3.817  -0.967  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        6.894   2.001   0.401  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        6.429   0.791   0.724  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.650   0.282   0.484  0.00  0.00    +0.168 A 
ATOM     22  N   LIG    1       -4.009  -0.117  -0.748  0.00  0.00    -0.073 NA
ATOM     23  O   LIG    1       -5.309   0.305  -0.935  0.00  0.00    -0.359 OA
ATOM     24  C   LIG    1       -5.745   0.949   0.179  0.00  0.00    +0.141 A 
ATOM     25  C   LIG    1       -4.736   0.960   1.107  0.00  0.00    +0.081 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -7.140   1.473   0.165  0.00  0.00    +0.052 C 
ATOM     27  C   LIG    1       -8.152   0.339   0.007  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -7.323   2.522  -0.931  0.00  0.00    +0.015 C 
ENDBRANCH  24  26
ENDBRANCH   4  21
TORSDOF 4