REMARK  Name = BDB047298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.188   1.870   0.197  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1       -0.485   0.632   0.190  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.061  -0.551   0.711  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.312  -0.424   1.298  0.00  0.00    +0.175 A 
ATOM      5  C   LIG    1       -2.968   0.785   1.350  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -4.246   0.524   1.976  0.00  0.00    +0.290 A 
ATOM      7  N   LIG    1       -4.206  -0.791   2.411  0.00  0.00    -0.173 N 
ATOM      8  C   LIG    1       -5.384  -1.621   2.327  0.00  0.00    +0.195 C 
ATOM      9  O   LIG    1       -5.160   1.325   2.037  0.00  0.00    -0.264 OA
ATOM     10  O   LIG    1       -3.054  -1.440   1.850  0.00  0.00    -0.374 OA
ATOM     11  C   LIG    1       -2.454   1.940   0.802  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.651   3.116  -0.471  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -0.181   4.307  -2.641  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.707   3.033  -1.998  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1        0.736   0.579  -0.443  0.00  0.00    -0.472 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.849   0.628   0.469  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.827  -0.500   0.161  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.542  -1.113   1.203  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.450  -2.138   0.934  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.663  -2.556  -0.378  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.972  -1.948  -1.424  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.063  -0.923  -1.157  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1        2.587   1.970   0.395  0.00  0.00    +0.351 C 
ATOM     24  O   LIG    1        3.020   2.601   1.350  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        2.778   2.440  -0.859  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        3.292   3.263  -0.731  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  16  23
ENDBRANCH  15  16
ENDBRANCH   2  15
BRANCH   3  27
ATOM     27  C   LIG    1       -0.420  -1.911   0.598  0.00  0.00    +0.042 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.507  -2.477  -0.820  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        0.144  -3.848  -0.910  0.00  0.00    +0.004 C 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 9