REMARK  Name = BDB033031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.365  -0.898   0.762  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.880  -0.883  -0.119  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.500  -2.155   0.156  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.575  -3.080   0.618  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.767  -4.274   0.783  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.745  -2.378   0.820  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.481   0.307   1.100  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        1.440  -0.052   0.273  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.558   0.065  -0.727  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.561   0.026   2.287  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1        2.186   3.145   0.156  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.446   2.347  -0.050  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        4.581   2.907  -0.674  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        5.782   2.196  -0.835  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        5.884   0.900  -0.340  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.789   0.321   0.298  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.583   1.030   0.430  0.00  0.00    +0.042 A 
BRANCH  13  18
ATOM     18  N   LIG    1        4.557   4.272  -1.187  0.00  0.00    +0.057 N 
ATOM     19  O   LIG    1        4.263   5.176  -0.394  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        4.847   4.426  -2.381  0.00  0.00    -0.126 OA
ENDBRANCH  13  18
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.782  -2.539  -0.405  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.920  -1.725   0.159  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.655  -0.777  -0.573  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1       -5.730  -0.073  -0.008  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -6.075  -0.305   1.321  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.354  -1.230   2.074  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.290  -1.933   1.501  0.00  0.00    +0.007 A 
BRANCH  23  28
ATOM     28  N   LIG    1       -4.321  -0.472  -1.955  0.00  0.00    +0.057 N 
ATOM     29  O   LIG    1       -5.214  -0.623  -2.798  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -3.173  -0.070  -2.186  0.00  0.00    -0.126 OA
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6