REMARK  Name = BDB006188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.990   0.064   0.799  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1        1.756   1.339   0.739  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        0.909   2.478   0.661  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        1.201   3.663   0.629  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.431   1.930   0.644  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1       -1.658   2.434   0.564  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1       -2.446   1.323   0.590  0.00  0.00    -0.265 N 
ATOM      8  C   LIG    1       -1.726   0.147   0.712  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.411   0.543   0.711  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        1.054   0.788  -2.284  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        1.234  -0.602  -1.733  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        1.204  -0.917  -0.350  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1        1.388  -2.272   0.022  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        1.589  -3.280  -0.922  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.611  -2.957  -2.268  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        1.852  -4.190  -3.443  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        1.437  -1.636  -2.672  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        3.183   1.385   0.827  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        3.943   0.290   1.278  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1        3.335  -0.821   1.724  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1        5.340   0.342   1.331  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1        6.243  -1.015   1.893  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        6.018   1.492   0.941  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.290   2.592   0.502  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.891   2.538   0.448  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1       -2.192  -1.331   0.828  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -3.212  -1.664   1.937  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.864  -2.651   0.945  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -3.227  -1.834  -0.200  0.00  0.00    +0.010 C 
ENDBRANCH   8  26
BRANCH   7  30
ATOM     30  C   LIG    1       -3.876   1.520   0.472  0.00  0.00    +0.171 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.281   1.931  -0.937  0.00  0.00    +0.179 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.701   1.896  -1.079  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -5.969   0.966  -1.170  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 6