REMARK  Name = BDB050370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.305  -2.870   0.324  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        2.244  -2.022   0.992  0.00  0.00    -0.491 OA
BRANCH   2  11
ATOM      3  C   LIG    1        7.623   0.798  -0.870  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1        7.269   1.229   0.498  0.00  0.00    +0.351 A 
ATOM      5  O   LIG    1        7.906   2.072   1.119  0.00  0.00    -0.244 OA
ATOM      6  O   LIG    1        6.135   0.644   1.061  0.00  0.00    -0.421 OA
ATOM      7  C   LIG    1        5.314  -0.235   0.332  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        5.632  -0.582  -0.975  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.785  -1.450  -1.664  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.636  -1.956  -1.040  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.328  -1.598   0.276  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        4.178  -0.731   0.965  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        6.841  -0.040  -1.570  0.00  0.00    +0.033 A 
BRANCH   3  14
ATOM     14  C   LIG    1        8.847   1.268  -1.549  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1        8.923   1.460  -2.755  0.00  0.00    -0.245 OA
BRANCH  14  17
ATOM     16  C   LIG    1       11.098   1.824  -1.246  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        9.872   1.373  -0.670  0.00  0.00    -0.464 OA
ENDBRANCH  14  17
ENDBRANCH   3  14
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.150  -3.172   1.278  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.788  -2.025   1.407  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -0.700  -0.897   2.195  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        0.280  -0.375   3.162  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -1.805  -0.131   1.954  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -2.518  -0.842   1.023  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1       -1.948  -1.978   0.666  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.775  -0.256   0.566  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -4.238   0.977   1.038  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.449   1.517   0.583  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.241   0.844  -0.361  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.766  -0.395  -0.829  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.556  -0.935  -0.374  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -7.575   1.408  -0.883  0.00  0.00    -0.013 C 
ATOM     32  C   LIG    1       -7.495   1.597  -2.413  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -8.718   0.425  -0.551  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -7.956   2.776  -0.273  0.00  0.00    +0.015 C 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8