REMARK  Name = BDB047389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   1.520  -0.845  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.120   1.963   0.385  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.153   2.384  -0.531  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.336   3.646  -1.112  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.447   4.413  -0.779  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        3.345   3.897   0.137  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1        3.205   2.693   0.729  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1        1.925   0.730   0.976  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1        2.977   0.291   1.838  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.119  -0.371   1.061  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.640  -1.573   0.240  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.842  -2.864   0.244  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        4.750  -2.218  -0.594  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       -0.580   1.888  -2.127  0.00  0.00    -0.386 OA
ATOM     15  H   LIG    1       -1.327   1.288  -2.296  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1       -1.135   1.666   0.234  0.00  0.00    +0.125 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.190   0.645   0.077  0.00  0.00    -0.099 C 
ATOM     18  C   LIG    1       -3.050  -0.184  -0.048  0.00  0.00    -0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.101  -1.202  -0.190  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.491  -0.578  -0.072  0.00  0.00    +0.024 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.585  -1.635  -0.211  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.958  -1.032  -0.094  0.00  0.00    +0.305 C 
ATOM     23  O   LIG    1       -8.245   0.143   0.051  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -8.923  -1.970  -0.171  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -9.756  -1.460  -0.083  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 14