REMARK  Name = BDB051415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.044   1.503  -1.210  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.062   1.428  -2.202  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.152   0.777  -1.962  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.408   0.191  -0.720  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.412   0.245   0.262  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.803   0.899   0.020  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.681  -0.513  -0.513  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1        3.359  -0.508   0.646  0.00  0.00    +0.008 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.632  -1.215   0.851  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        5.636  -1.245  -0.126  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        6.845  -1.903   0.117  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.066  -2.527   1.343  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.081  -2.490   2.328  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.873  -1.832   2.085  0.00  0.00    +0.008 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -2.175   2.166  -1.591  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.184   2.483  -0.614  0.00  0.00    +0.285 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -4.514   4.503  -0.299  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.613   3.926  -0.891  0.00  0.00    +0.346 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.887   4.532  -1.864  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -2.217   3.903  -2.212  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
BRANCH  16  21
ATOM     21  C   LIG    1       -4.408   1.577  -0.803  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.259   0.239  -0.118  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.584   0.102   1.239  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.420  -1.125   1.884  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.929  -2.223   1.180  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.604  -2.097  -0.169  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.770  -0.872  -0.817  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8