REMARK  Name = BDB047564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.500   0.869   2.441  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.427  -0.922   0.344  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -4.176  -0.420   1.016  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.057  -0.563   0.192  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.798  -0.142   0.603  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.662   0.416   1.876  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.791   0.547   2.704  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.431  -1.147  -1.133  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -4.056   0.132   2.280  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.822  -1.724  -0.835  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -6.411   0.206  -0.033  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.862   2.352  -1.332  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.940   1.151  -1.154  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -7.753  -0.431  -0.325  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -8.616  -0.675   0.504  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.933  -0.791  -1.608  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.826  -1.195  -1.618  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.712   0.771   1.689  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.351  -0.605   1.861  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.517  -0.796   0.964  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.674  -1.659  -0.099  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.827  -2.679  -0.742  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.923  -1.465  -0.617  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.469  -0.482   0.168  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.664  -0.051   1.122  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.829  -0.058  -0.153  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.448   0.933   0.623  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        7.751   1.365   0.343  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        8.458   0.808  -0.722  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        7.850  -0.179  -1.500  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        6.549  -0.610  -1.220  0.00  0.00    +0.017 A 
BRANCH  29  32
ATOM     32  O   LIG    1        9.729   1.136  -1.104  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1       10.396   2.128  -0.334  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10