REMARK  Name = BDB047536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.279  -0.785   3.137  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.856  -0.331  -0.136  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1        3.718  -0.471   0.840  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        2.480  -0.404   0.196  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        1.290  -0.490   0.906  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.348  -0.666   2.291  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.598  -0.740   2.932  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.643  -0.178  -1.273  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.791  -0.641   2.211  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        4.123  -0.530  -1.484  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1        5.677   0.963   0.031  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1        7.869   2.113  -0.589  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        6.886   0.997  -0.926  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1        4.839   2.220  -0.080  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1        4.480   2.924   0.850  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.502   2.551  -1.340  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        3.974   3.370  -1.225  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       -1.040  -0.700   2.590  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.508  -2.064   2.086  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.776  -1.975   1.323  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1       -3.020  -2.245  -0.007  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1       -2.196  -2.704  -1.139  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -4.342  -2.006  -0.250  0.00  0.00    -0.441 OA
ATOM     24  C   LIG    1       -4.835  -1.580   0.957  0.00  0.00    +0.234 A 
ATOM     25  N   LIG    1       -3.941  -1.565   1.928  0.00  0.00    -0.215 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -6.282  -1.238   1.005  0.00  0.00    +0.324 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -6.434   0.184   0.969  0.00  0.00    -0.483 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -6.608   0.805  -0.235  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1       -6.910   2.167  -0.141  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1       -7.113   2.936  -1.288  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.010   2.346  -2.545  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.701   0.991  -2.649  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.498   0.222  -1.498  0.00  0.00    +0.045 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11