REMARK  Name = BDB061311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.176   3.014  -0.695  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -2.405   2.194  -0.897  0.00  0.00    +0.188 C 
ATOM      3  N   LIG    1       -2.244   1.154   0.089  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1       -1.057   1.328   0.805  0.00  0.00    +0.251 C 
ATOM      5  O   LIG    1       -0.596   0.678   1.729  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -0.384   2.528   0.265  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.206   0.120   0.265  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -3.040  -0.896   1.215  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.993  -1.922   1.389  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -3.745  -2.981   2.430  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.148  -1.936   0.591  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1       -6.194  -3.007   0.736  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.322  -0.926  -0.361  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.366   0.084  -0.520  0.00  0.00    +0.024 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  C   LIG    1       -1.547   4.292  -2.650  0.00  0.00    +0.276 C 
ATOM     16  O   LIG    1       -0.895   4.165  -1.391  0.00  0.00    -0.497 OA
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1        0.903   3.037   0.801  0.00  0.00    +0.118 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.111   2.434   0.175  0.00  0.00    +0.110 A 
ATOM     19  O   LIG    1        2.435   1.174   0.573  0.00  0.00    -0.459 OA
ATOM     20  C   LIG    1        3.545   0.788  -0.123  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1        3.939   1.817  -0.957  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        3.015   2.875  -0.768  0.00  0.00    +0.045 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.039  -0.556   0.161  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        5.299  -0.965  -0.298  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        5.767  -2.258  -0.022  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        4.974  -3.167   0.681  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        3.722  -2.771   1.142  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.263  -1.474   0.889  0.00  0.00    +0.011 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.098  -2.697  -0.492  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        7.303  -3.779  -1.011  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.062  -1.785  -0.243  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.781  -1.051   0.337  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 7