REMARK  Name = BDB047307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.806   1.683  -0.791  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.904   0.674  -0.358  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.361  -0.588   0.078  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -2.738  -0.746   0.155  0.00  0.00    +0.164 A 
ATOM      5  O   LIG    1       -3.390  -1.891   0.593  0.00  0.00    -0.407 OA
ATOM      6  C   LIG    1       -4.742  -1.535   0.517  0.00  0.00    +0.422 A 
ATOM      7  N   LIG    1       -4.889  -0.259   0.004  0.00  0.00    -0.272 N 
ATOM      8  O   LIG    1       -5.639  -2.287   0.874  0.00  0.00    -0.223 OA
ATOM      9  C   LIG    1       -3.624   0.249  -0.205  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -3.192   1.465  -0.685  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -6.136   0.471  -0.161  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1       -7.138  -0.294  -1.028  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -6.750   0.832   1.192  0.00  0.00    +0.031 C 
ENDBRANCH   7  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.336   2.982  -1.417  0.00  0.00    +0.038 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -0.643   2.061  -3.693  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -1.542   3.031  -2.937  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  O   LIG    1        0.445   0.926  -0.452  0.00  0.00    -0.472 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.030   1.241   0.827  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.381   0.538   0.960  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.066   0.023  -0.152  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.296  -0.618   0.001  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.881  -0.756   1.268  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        4.205  -0.232   2.377  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.972   0.408   2.226  0.00  0.00    +0.008 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.209  -1.480   1.410  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.040  -2.801   2.163  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        7.275  -0.604   2.074  0.00  0.00    +0.012 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1        1.158   2.768   0.975  0.00  0.00    +0.351 C 
ATOM     29  O   LIG    1        0.346   3.460   1.587  0.00  0.00    -0.246 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.207   3.330   0.318  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        2.789   2.676  -0.128  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   3  32
ATOM     32  C   LIG    1       -0.446  -1.744   0.393  0.00  0.00    +0.042 C 
BRANCH  32  33
ATOM     33  C   LIG    1        0.177  -2.343  -0.869  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        1.124  -3.483  -0.529  0.00  0.00    +0.004 C 
ENDBRANCH  32  33
ENDBRANCH   3  32
TORSDOF 11