REMARK  Name = BDB061976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.706  -0.376  -0.023  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1        2.240  -0.811   1.195  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        0.885  -0.723   1.080  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.596  -0.246  -0.184  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.745  -0.065  -0.552  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.753  -0.376   0.381  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.404  -0.857   1.652  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -0.066  -1.044   2.036  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        1.758  -0.028  -0.878  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.954  -0.308  -0.609  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1        6.081   0.101  -1.624  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.698   0.073  -1.422  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.156  -0.359  -0.203  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        5.036  -0.761   0.812  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.420  -0.734   0.612  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.034   1.079  -0.407  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        8.446  -0.262  -0.819  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -3.085  -0.172  -0.043  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -3.191   0.171  -0.992  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -4.246  -0.427   0.659  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -4.322  -0.861   1.803  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -5.526  -0.081  -0.030  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -5.765  -0.223  -1.404  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1       -4.608  -0.862  -2.517  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -7.012   0.133  -1.935  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -8.025   0.624  -1.109  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -7.810   0.770   0.266  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -6.561   0.404   0.794  0.00  0.00    +0.027 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -8.909   1.270   1.175  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -8.442   2.022   2.208  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -9.819   2.050   0.528  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -9.618   0.253   1.736  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5