REMARK  Name = BDB046419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.977  -0.742  -0.161  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.404   0.308  -0.904  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        1.123   1.498  -1.139  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        0.609   2.605  -2.016  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        2.384   1.663  -0.538  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.954   0.643   0.232  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        2.254  -0.556   0.399  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.294   0.770   0.868  0.00  0.00    +0.339 C 
ATOM      9  O   LIG    1        4.815  -0.118   1.525  0.00  0.00    -0.245 OA
BRANCH   8  10
ATOM     10  O   LIG    1        4.832   1.990   0.617  0.00  0.00    -0.464 OA
ATOM     11  C   LIG    1        6.121   2.187   1.200  0.00  0.00    +0.280 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  12
ATOM     12  C   LIG    1        0.286  -2.072   0.046  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1        0.476  -2.479   2.568  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.443  -2.201   1.387  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -0.818   0.094  -1.498  0.00  0.00    -0.472 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.891   0.853  -0.889  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.893  -0.078  -0.230  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.292  -1.279  -0.839  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.227  -2.112  -0.223  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.784  -1.751   1.002  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.410  -0.555   1.610  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.474   0.279   0.997  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1       -2.583   1.661  -2.000  0.00  0.00    +0.351 C 
ATOM     24  O   LIG    1       -3.348   2.597  -1.808  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.263   1.236  -3.252  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1       -1.616   0.498  -3.196  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  16  23
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 9