REMARK  Name = BDB002679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.049   2.306  -0.598  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.860   1.392  -0.404  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -2.132   1.755  -0.064  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1       -2.167   2.758   0.091  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.335   1.056   0.134  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.571  -0.268  -0.232  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -4.827  -0.852   0.017  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -5.858  -0.122   0.618  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -5.630   1.206   0.964  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.383   1.787   0.718  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.064  -2.249  -0.372  0.00  0.00    +0.056 N 
ATOM     12  O   LIG    1       -4.118  -2.875  -0.871  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1       -6.194  -2.719  -0.179  0.00  0.00    -0.126 OA
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  14
ATOM     14  C   LIG    1       -0.441  -0.071  -0.512  0.00  0.00    +0.328 C 
BRANCH  14  15
ATOM     15  O   LIG    1        0.981  -0.236  -0.523  0.00  0.00    -0.452 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.566  -0.041   0.683  0.00  0.00    +0.332 C 
ATOM     17  O   LIG    1        0.981   0.169   1.736  0.00  0.00    -0.246 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.037  -0.132   0.613  0.00  0.00    +0.095 C 
ATOM     19  C   LIG    1        3.720  -0.356  -0.519  0.00  0.00    +0.053 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.139  -0.440  -0.557  0.00  0.00    +0.128 A 
ATOM     21  O   LIG    1        5.809  -0.708  -1.733  0.00  0.00    -0.464 OA
ATOM     22  C   LIG    1        7.139  -0.729  -1.481  0.00  0.00    +0.195 A 
ATOM     23  C   LIG    1        7.377  -0.481  -0.155  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.104  -0.296   0.436  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 7