REMARK  Name = BDB047388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.429  -2.302   0.086  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.891  -1.943   0.572  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.642  -2.411   0.981  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -1.548  -2.932   2.279  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.677  -2.991   3.089  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.870  -2.515   2.578  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -4.002  -1.993   1.341  0.00  0.00    -0.221 NA
BRANCH   2   8
ATOM      8  O   LIG    1       -2.975  -1.402  -0.695  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.227  -0.794  -1.021  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.319   0.642  -0.497  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.200   1.531  -1.052  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.452   3.751  -0.897  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -3.223   2.954  -0.488  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        0.408  -3.446   0.281  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -0.157  -4.227   0.150  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.369  -1.027   0.393  0.00  0.00    +0.036 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.324  -0.592  -0.729  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.465  -1.574  -1.002  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.454  -1.081  -2.065  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.197   0.217  -1.737  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.001   0.146  -0.444  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.840   1.385  -0.272  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1        7.038   1.444  -0.515  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        5.075   2.419   0.175  0.00  0.00    -0.468 OA
ATOM     25  C   LIG    1        5.796   3.638   0.354  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 15