REMARK  Name = BDB032179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.399  -2.272  -1.064  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -1.825  -0.972  -0.858  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.116  -0.479  -0.296  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -2.977   0.969  -0.400  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -1.711   1.341  -0.828  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -1.253   2.463  -0.921  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.996   0.105  -1.163  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        0.276  -0.051  -1.679  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.725  -1.359  -1.908  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1       -0.113  -2.459  -1.590  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.877   1.911   0.254  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.751   1.868   1.787  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.853   1.293   2.397  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.742   2.530   2.475  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.661   2.483   3.482  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.010   2.781   2.014  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.929   3.028   2.789  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.200   2.758   0.515  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.336   1.686  -0.131  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1       -1.856  -4.596  -0.894  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.286  -3.251  -0.725  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1        2.115  -1.593  -2.442  0.00  0.00    +0.269 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.012  -1.744  -1.335  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.825  -0.687  -1.081  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1        4.567  -0.986   0.028  0.00  0.00    -0.251 N 
ATOM     26  H   LIG    1        4.348  -1.891   0.421  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1        3.860   0.334  -1.748  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  C   LIG    1        5.540  -0.199   0.668  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.926   1.072   0.231  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        6.906   1.786   0.928  0.00  0.00    +0.045 A 
ATOM     31 CL   LIG    1        7.376   3.349   0.380  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.510   1.250   2.059  0.00  0.00    +0.058 A 
ATOM     33  C   LIG    1        7.123  -0.011   2.487  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1        7.696  -0.543   3.574  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        6.149  -0.738   1.806  0.00  0.00    +0.061 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6