REMARK  Name = BDB063566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407  -4.017   0.364  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.714  -2.557   0.269  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.302  -1.502   0.078  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -1.613  -1.761  -0.019  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        0.490  -0.242   0.056  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        0.061   0.889  -0.065  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        1.812  -0.701   0.220  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        1.925  -2.082   0.345  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.627  -0.798  -0.239  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -3.867  -1.035   0.314  0.00  0.00    -0.355 N 
ATOM     11  H   LIG    1       -4.109  -1.825   0.894  0.00  0.00    +0.166 HD
ATOM     12  C   LIG    1       -4.750  -0.028  -0.006  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.056   0.883  -0.798  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.732   2.024  -1.271  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -6.077   2.211  -0.932  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.746   1.282  -0.137  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.095   0.142   0.343  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -2.731   0.386  -0.942  0.00  0.00    +0.035 A 
ENDBRANCH   4   9
BRANCH   7  19
ATOM     19  C   LIG    1        2.999   0.075   0.280  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        2.981   1.474   0.183  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.166   2.218   0.243  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        5.393   1.569   0.389  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.434   0.179   0.508  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.245  -0.557   0.449  0.00  0.00    +0.026 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.626   2.385   0.447  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        6.702   3.441   1.049  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        7.638   1.855  -0.273  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.381   1.104  -0.839  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   7  19
TORSDOF 4