REMARK  Name = BDB061821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.325   0.448   0.854  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.317  -0.333   1.827  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.463  -0.989   1.443  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        2.286  -1.822   2.191  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        2.177  -2.079   3.159  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        3.348  -2.259   1.384  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        3.151  -1.679   0.116  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1        4.257  -2.990   1.739  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        1.991  -0.894   0.154  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.386  -0.123  -0.814  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.215   0.559  -0.453  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -1.752   1.460   2.428  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.566   1.167   1.252  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -2.469   1.436   0.247  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.357   0.988  -0.654  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.765   2.005   0.536  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.801   0.920   0.731  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -5.400   0.242  -0.357  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -6.351  -0.763  -0.097  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -6.692  -1.106   1.212  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.085  -0.454   2.280  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.145   0.547   2.043  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -5.040   0.572  -1.787  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -5.402   1.835  -2.141  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.696   0.492  -2.021  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.618  -0.251  -2.706  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        4.029  -1.851  -1.017  0.00  0.00    +0.163 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.935  -0.662  -1.257  0.00  0.00    -0.009 A 
ATOM     29  C   LIG    1        5.003   0.017  -2.484  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        4.047  -0.437  -3.850  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.870   1.104  -2.650  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.689   1.522  -1.602  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.647   0.850  -0.386  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.783  -0.234  -0.216  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6