REMARK  Name = BDB063591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.566   1.996  -1.211  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        2.344   1.494  -0.201  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        2.288   1.873   0.960  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        3.183   0.507  -0.747  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        2.933   0.365  -2.164  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.847   1.389  -2.395  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        1.329   1.617  -3.479  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.149  -0.278  -0.061  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.913  -1.231  -0.752  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1        5.873  -2.019  -0.095  0.00  0.00    +0.054 A 
ATOM     11 CL   LIG    1        6.750  -3.159  -1.053  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        6.100  -1.877   1.275  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        5.339  -0.926   1.969  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.382  -0.142   1.311  0.00  0.00    +0.024 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.122  -2.709   2.001  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        7.194  -2.422   3.334  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.866  -4.045   1.935  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        8.386  -2.533   1.527  0.00  0.00    -0.166 F 
ENDBRANCH  12  15
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.545   3.002  -1.029  0.00  0.00    +0.153 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -3.833   1.106  -2.613  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -2.913   1.430  -1.470  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -3.235   1.112  -0.140  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1       -2.392   1.505   0.912  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -2.757   1.288   2.352  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -1.162   2.109   0.608  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -0.794   2.378  -0.716  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -1.677   2.033  -1.747  0.00  0.00    +0.012 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -4.429   0.499   0.126  0.00  0.00    -0.475 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.432  -0.943   0.255  0.00  0.00    +0.200 C 
ATOM     30  C   LIG    1       -3.111  -1.669  -0.061  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -5.528  -1.448  -0.696  0.00  0.00    +0.067 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -4.902  -1.295   1.679  0.00  0.00    +0.348 C 
ATOM     33  O   LIG    1       -5.364  -0.540   2.520  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.814  -2.613   1.971  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1       -5.169  -2.667   2.884  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8