REMARK  Name = BDB047506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.041   0.132  -1.527  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.062  -0.117  -0.756  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -1.767   1.029  -0.370  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.898   0.890   0.418  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.807   1.970   0.908  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -4.610   1.230   1.988  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -4.605  -0.277   1.636  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.349  -0.372   0.810  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.663  -1.516   0.435  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.512  -1.383  -0.352  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.855  -0.801   0.904  0.00  0.00    +0.102 C 
ATOM     12  C   LIG    1       -6.300   0.008  -0.316  0.00  0.00    +0.020 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.966  -0.972   1.917  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.062  -1.895   2.710  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.862   0.030   1.941  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.487  -0.226   2.653  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.829  -0.994  -1.925  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.022  -0.495  -2.739  0.00  0.00    +0.100 C 
BRANCH  18  21
ATOM     19  C   LIG    1        2.308   2.532  -1.275  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        3.171   1.339  -1.305  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.089   0.091  -1.883  0.00  0.00    +0.086 A 
ATOM     22  N   LIG    1        4.208  -0.642  -1.553  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        4.920   0.173  -0.796  0.00  0.00    +0.228 A 
ATOM     24  O   LIG    1        4.342   1.401  -0.604  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.211  -0.057  -0.152  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.834   0.922   0.636  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.070   0.673   1.240  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.699  -0.558   1.064  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.094  -1.541   0.284  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.858  -1.292  -0.319  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8