REMARK  Name = BDB056830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057   0.576   0.373  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -1.343   0.412   0.407  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -2.024   0.595   1.615  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.333   0.944   2.778  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.047   1.112   2.748  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.738   0.928   1.553  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.850   0.394  -0.905  0.00  0.00    +0.146 C 
BRANCH   7   9
ATOM      8  C   LIG    1        0.260   2.579  -1.930  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        1.302   1.663  -1.492  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        2.590   2.181  -1.356  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        2.870   3.367  -1.523  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1        3.705   1.269  -1.022  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.993   0.169  -1.833  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.070  -0.665  -1.514  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        5.879  -0.405  -0.396  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        5.589   0.724   0.389  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.516   1.564   0.075  0.00  0.00    +0.014 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.001  -1.284  -0.069  0.00  0.00    +0.135 A 
ATOM     19  O   LIG    1        7.688  -0.994   1.078  0.00  0.00    -0.463 OA
ATOM     20  C   LIG    1        8.677  -1.913   1.206  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1        8.645  -2.801   0.159  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        7.565  -2.398  -0.664  0.00  0.00    +0.050 A 
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  23
ATOM     23  O   LIG    1       -1.932   0.079  -0.783  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.351  -0.078  -0.847  0.00  0.00    +0.229 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.739  -1.519  -0.517  0.00  0.00    +0.041 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.234  -1.790  -0.678  0.00  0.00    +0.007 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.050  -1.188   0.427  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -6.685   0.181   0.277  0.00  0.00    +0.101 C 
ATOM     29  C   LIG    1       -7.542  -1.064   0.272  0.00  0.00    +0.019 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -6.670   1.105   1.434  0.00  0.00    +0.308 C 
ATOM     31  O   LIG    1       -5.634   1.435   1.985  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.896   1.549   1.784  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -8.598   1.182   1.215  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 11