REMARK  Name = BDB033037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179  -1.582   0.455  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.037  -0.860  -0.118  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.401   0.056   0.939  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.963  -0.401   2.175  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.236   0.078   3.263  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.126  -1.639   1.953  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.643  -1.450   0.301  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -1.413  -0.838   0.196  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.374   0.174   0.249  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.801  -2.642   0.524  0.00  0.00    -0.270 OA
BRANCH   7  17
ATOM     11  C   LIG    1       -3.079   0.349  -2.066  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.009   0.340  -0.882  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -5.123   1.203  -0.801  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1       -6.042   1.146   0.259  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -5.853   0.224   1.283  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -4.740  -0.615   1.255  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.815  -0.544   0.199  0.00  0.00    +0.042 A 
BRANCH  13  18
ATOM     18  N   LIG    1       -5.361   2.217  -1.822  0.00  0.00    +0.057 N 
ATOM     19  O   LIG    1       -6.491   2.259  -2.326  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1       -4.421   2.976  -2.096  0.00  0.00    -0.126 OA
ENDBRANCH  13  18
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.425   1.074   0.780  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.820   0.489   0.669  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        4.546   0.459  -0.545  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        5.832  -0.119  -0.558  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        6.393  -0.655   0.600  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.681  -0.621   1.792  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.408  -0.054   1.827  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.992   1.037  -1.827  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        3.722   2.369  -1.728  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        2.823   0.446  -2.203  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.826   0.909  -2.897  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6