REMARK  Name = BDB040743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.650  -0.590   1.007  0.00  0.00    -0.269 N 
ATOM      2  C   LIG    1        0.753  -1.164   1.922  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1        0.980  -1.949   2.829  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -0.642  -0.706   1.569  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -0.391   0.535   0.728  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.944   0.240   0.058  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.848  -1.369   0.682  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        5.092  -1.873   1.740  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1        5.694  -2.609   2.686  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.722  -1.628   1.859  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.046  -0.853   0.912  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        3.801  -0.330  -0.146  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        5.172  -0.585  -0.248  0.00  0.00    +0.132 A 
ATOM     14  F   LIG    1        5.838  -0.031  -1.271  0.00  0.00    -0.205 F 
BRANCH   7  21
ATOM     15  O   LIG    1        9.517   1.190  -1.472  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        8.928   0.340  -0.809  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        8.681  -0.909  -1.320  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        8.979  -1.052  -2.275  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        7.843  -1.871  -0.812  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1        7.502  -2.828  -1.506  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        7.330  -1.667   0.608  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1        8.186  -0.647   1.365  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        8.379   0.631   0.565  0.00  0.00    +0.097 C 
ENDBRANCH   7  21
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  N   LIG    1       -1.464   0.817  -0.203  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1       -1.550   0.307  -1.073  0.00  0.00    +0.152 HD
ATOM     26  C   LIG    1       -2.610   1.437   0.195  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1       -2.791   1.940   1.292  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.511   1.378  -0.812  0.00  0.00    -0.450 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -4.786   1.989  -0.548  0.00  0.00    +0.237 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.710   0.970   0.108  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1       -7.202   1.404   0.218  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -7.487   0.488  -0.950  0.00  0.00    -0.029 C 
ATOM     33  C   LIG    1       -8.772  -0.303  -0.962  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -9.304   0.738  -1.979  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -7.832   1.117  -2.283  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1       -6.169  -0.219  -0.789  0.00  0.00    +0.013 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   5  24
TORSDOF 6