REMARK  Name = BDB011132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.364  -0.408   1.920  0.00  0.00    +0.237 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.926  -0.108   2.464  0.00  0.00    -0.476 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -4.372  -0.508   1.351  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -4.160  -0.879   0.011  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1       -2.833  -0.994  -0.419  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.745  -0.754   0.343  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1       -1.980  -0.392   1.617  0.00  0.00    +0.215 A 
ATOM      8  C   LIG    1       -3.249  -0.252   2.154  0.00  0.00    +0.071 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -6.353   1.007   1.728  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -5.739  -0.361   1.978  0.00  0.00    +0.032 C 
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  C   LIG    1       -5.264  -1.142  -0.983  0.00  0.00    +0.048 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.405  -0.002  -1.994  0.00  0.00    +0.125 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.555  -0.249  -2.938  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1       -7.223  -1.269  -2.980  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.774   0.795  -3.770  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -6.168   1.548  -3.635  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.898   0.758   1.090  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.174   0.419   0.413  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        2.378  -0.252  -0.774  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        1.496  -0.867  -1.780  0.00  0.00    +0.088 C 
ATOM     21  O   LIG    1        3.726  -0.332  -0.984  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        4.276   0.304   0.099  0.00  0.00    +0.228 A 
ATOM     23  N   LIG    1        3.389   0.765   0.960  0.00  0.00    -0.214 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.735   0.379   0.151  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        6.356   1.021   1.236  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        7.749   1.112   1.320  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        8.537   0.555   0.307  0.00  0.00    +0.126 A 
ATOM     28  C   LIG    1        7.939  -0.090  -0.783  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1        6.544  -0.174  -0.855  0.00  0.00    +0.015 A 
BRANCH  27  30
ATOM     30  N   LIG    1       10.001   0.646   0.387  0.00  0.00    +0.056 N 
ATOM     31  O   LIG    1       10.490   1.224   1.368  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       10.661   0.141  -0.532  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11