REMARK  Name = BDB064669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070  -1.297   1.296  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1       -1.317  -0.719   0.800  0.00  0.00    -0.283 N 
ATOM      3  C   LIG    1       -1.467   0.637   0.614  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1       -0.612   1.468   0.898  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -2.370  -1.725   0.714  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -1.764  -3.014   1.278  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -0.545  -2.530   2.064  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.750   1.117   0.075  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -3.032   1.067  -1.292  0.00  0.00    +0.053 A 
ATOM     10 CL   LIG    1       -1.908   0.444  -2.445  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1       -4.261   1.542  -1.757  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -5.192   2.074  -0.860  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.898   2.139   0.502  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.673   1.666   0.974  0.00  0.00    +0.014 A 
ENDBRANCH   3   8
BRANCH   1  16
ATOM     15  O   LIG    1        0.620  -2.737  -0.543  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1        0.833  -1.712   0.111  0.00  0.00    +0.234 C 
ATOM     17  N   LIG    1        1.872  -0.920  -0.280  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.310  -1.256  -1.129  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.108   0.466   0.063  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.513   0.867  -0.308  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        4.604   0.405   0.446  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        5.908   0.763   0.098  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        6.130   1.582  -1.007  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        7.737   2.022  -1.436  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        5.058   2.044  -1.768  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.753   1.686  -1.421  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  16
BRANCH   6  27
ATOM     27  O   LIG    1       -2.660  -3.687   2.154  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -3.339  -4.113   1.603  0.00  0.00    +0.210 HD
ENDBRANCH   6  27
TORSDOF 5