REMARK  Name = BDB055595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.903  -0.486  -0.406  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.815  -1.145   0.182  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.418  -1.235  -0.476  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.584  -0.660  -1.733  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.503  -0.025  -2.338  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.734   0.065  -1.682  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.301   1.457   1.829  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        3.395   0.535   1.356  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1        3.189  -0.378   0.297  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        4.253  -1.212  -0.093  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.489  -1.154   0.550  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.683  -0.262   1.597  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.644   0.576   2.000  0.00  0.00    +0.004 A 
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  O   LIG    1       -1.725  -0.655  -2.482  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.988  -0.957  -1.857  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.870  -1.540  -2.964  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1       -5.047  -1.843  -2.820  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.221  -1.715  -4.142  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -2.290  -1.413  -4.049  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1       -3.660   0.320  -1.332  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.203   0.705   0.056  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -2.245   1.711   0.241  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.804   2.040   1.524  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.319   1.371   2.632  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.277   0.374   2.460  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.718   0.041   1.179  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 7