REMARK  Name = BDB061612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.078  -3.102  -1.199  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.519  -0.694  -0.996  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        3.313  -1.746  -0.094  0.00  0.00    +0.084 A 
ATOM      4 CL   LIG    1        4.477  -2.143   1.116  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        2.152  -2.522  -0.159  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.193  -2.287  -1.153  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        1.419  -1.262  -2.081  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.581  -0.485  -2.015  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1        2.820   0.705  -3.241  0.00  0.00    -0.080 Cl
BRANCH   2  10
ATOM     10  O   LIG    1        4.669   0.052  -0.950  0.00  0.00    -0.472 OA
BRANCH  10  12
ATOM     11  C   LIG    1        3.428   1.474   0.773  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        4.678   1.220  -0.085  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1        4.952   2.443  -0.972  0.00  0.00    +0.067 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.904   1.088   0.841  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1        6.111   1.781   1.828  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        6.787   0.142   0.430  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        6.423  -0.340  -0.344  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2  10
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1       -1.096  -2.543  -0.344  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1       -2.022  -1.558  -0.713  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1       -2.137  -1.098  -1.839  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1       -2.707  -1.250   0.451  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1       -2.130  -2.025   1.399  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1       -1.172  -2.801   1.000  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.757  -0.314   0.623  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -4.262   0.428  -0.455  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.303   1.352  -0.285  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.878   1.558   0.972  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -5.377   0.831   2.057  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -4.336  -0.093   1.883  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.982   2.569   1.162  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1       -7.752   2.737   0.051  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.843   2.233   2.164  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -6.504   3.804   1.478  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8