REMARK  Name = BDB014249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.699  -0.391  -0.554  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.582   0.400  -0.270  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.696   1.782  -0.172  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.412   2.301   0.118  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.532   1.236   0.194  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.865   2.445  -0.338  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.930   1.664  -0.612  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.262   0.094  -0.043  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -0.882  -0.846  -0.063  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.909   0.284  -0.729  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.614  -2.572  -0.922  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.660  -1.859  -0.675  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.433  -2.378  -0.480  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.578  -3.342  -0.592  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.932   1.206   0.481  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.413  -0.081   0.093  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.748  -0.324   0.267  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.680   0.560   0.815  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        5.021   0.178   0.935  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        5.429  -1.084   0.509  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        7.078  -1.547   0.660  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        4.507  -1.971  -0.038  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.169  -1.588  -0.157  0.00  0.00    +0.047 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5