REMARK  Name = BDB040824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.626  -0.145  -1.766  0.00  0.00    +0.112 C 
ATOM      2  C   LIG    1       -0.630   0.759  -1.814  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1       -1.076   1.135  -3.214  0.00  0.00    +0.030 C 
ATOM      4  N   LIG    1       -1.369  -0.358  -1.271  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1       -0.172  -0.983  -0.754  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.610  -0.335  -0.594  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.031  -1.449   0.141  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.259  -1.444   0.803  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -4.623  -2.542   1.481  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.114  -0.341   0.766  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.692   0.755   0.016  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -5.480   1.834  -0.097  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.467   0.767  -0.653  0.00  0.00    +0.062 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.438  -0.394   1.498  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1       -6.838   0.929   2.138  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1       -6.225   1.416   3.087  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -7.905   1.595   1.585  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -8.131   2.484   2.009  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -8.538   1.331   0.397  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -9.357   2.117  -0.072  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -8.126   0.072  -0.325  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -7.574  -0.963   0.642  0.00  0.00    +0.027 C 
ENDBRANCH  10  14
ENDBRANCH   4   6
BRANCH   1  23
ATOM     23  N   LIG    1        1.780   0.518  -1.223  0.00  0.00    -0.291 N 
ATOM     24  H   LIG    1        1.994   1.417  -1.640  0.00  0.00    +0.151 HD
BRANCH  23  27
ATOM     25  C   LIG    1        4.865  -0.415  -0.164  0.00  0.00    +0.225 A 
ATOM     26  O   LIG    1        3.997   0.542  -0.622  0.00  0.00    -0.409 OA
ATOM     27  C   LIG    1        2.843  -0.170  -0.774  0.00  0.00    +0.308 A 
ATOM     28  N   LIG    1        2.983  -1.435  -0.451  0.00  0.00    -0.093 NA
ATOM     29  N   LIG    1        4.294  -1.596  -0.055  0.00  0.00    -0.110 NA
BRANCH  25  32
ATOM     30  C   LIG    1        8.112   0.179   0.615  0.00  0.00    +0.072 C 
ATOM     31  C   LIG    1        7.161   1.058  -0.250  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.291  -0.151   0.174  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1        6.909   0.022   1.587  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.524  -1.033  -0.159  0.00  0.00    +0.051 C 
BRANCH  30  36
ATOM     35  C   LIG    1       10.128  -0.492   1.729  0.00  0.00    +0.194 C 
ATOM     36  O   LIG    1        9.457   0.461   0.919  0.00  0.00    -0.376 OA
ENDBRANCH  30  36
ENDBRANCH  25  32
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 6