REMARK  Name = BDB047392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.680  -2.313   1.375  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.848  -0.572  -0.091  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.195  -1.797   0.048  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.999  -2.548  -1.119  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.450  -2.066  -2.343  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.087  -0.839  -2.366  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.297  -0.082  -1.269  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1       -2.073   0.151   1.067  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.692   1.427   0.876  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.215   1.294   0.895  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.895   2.657   0.765  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.070   2.040   1.948  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.420   2.567   0.678  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -1.721  -2.309   2.359  0.00  0.00    -0.386 OA
ATOM     15  H   LIG    1       -2.177  -1.449   2.286  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.532  -1.532   1.914  0.00  0.00    +0.125 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.737  -1.717   1.086  0.00  0.00    -0.099 C 
ATOM     18  C   LIG    1        2.718  -1.862   0.409  0.00  0.00    -0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.917  -2.033  -0.423  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.913  -0.900  -0.190  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.153  -1.066  -1.060  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1        7.148   0.030  -0.784  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        8.129  -0.100  -0.065  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.788   1.172  -1.432  0.00  0.00    -0.468 OA
ATOM     25  C   LIG    1        7.675   2.269  -1.207  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14