REMARK  Name = BDB063260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.412   1.775   1.135  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.596   0.732   0.581  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.043   0.933   1.850  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.697   1.281   1.985  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.884   1.437   0.860  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.432   1.244  -0.407  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.780   0.893  -0.545  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.045   0.337   0.429  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.355  -1.111   0.835  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.723  -2.061  -0.187  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        5.204  -2.435  -1.246  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        3.509  -2.510   0.197  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        3.216  -3.082  -0.543  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.784  -1.225   0.878  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.313  -2.296   2.990  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.257  -2.429   1.478  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.293   1.931   0.020  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.681   2.257   0.558  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.636   2.539  -0.503  0.00  0.00    -0.341 N 
ATOM     20  C   LIG    1       -4.342   1.588  -1.220  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -5.097   2.267  -2.159  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.857   3.648  -2.001  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -3.947   3.802  -0.974  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -3.365   5.057  -0.425  0.00  0.00    +0.063 C 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.250   0.145  -1.015  0.00  0.00    -0.001 A 
ATOM     26  C   LIG    1       -4.836  -0.456   0.103  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -4.742  -1.837   0.293  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.077  -2.635  -0.642  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -3.492  -2.035  -1.761  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -3.585  -0.653  -1.950  0.00  0.00    +0.011 A 
BRANCH  28  31
ATOM     31  S   LIG    1       -3.964  -4.393  -0.364  0.00  0.00    -0.129 S 
ATOM     32  C   LIG    1       -4.810  -4.992  -1.851  0.00  0.00    +0.090 C 
ENDBRANCH  28  31
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12