REMARK  Name = BDB023730
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.364   0.802  -0.756  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.667   0.626   0.422  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.479   1.498   0.723  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1        0.586   1.479   2.248  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.068   0.092   2.610  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.077  -0.104   1.615  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.994   1.653  -1.575  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.774   0.970   0.106  0.00  0.00    +0.135 C 
ATOM      9  N   LIG    1        1.900  -0.300  -0.428  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        1.339  -1.049  -0.051  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        3.329  -0.478  -0.643  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        3.524  -0.961  -2.082  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        3.818  -1.519   0.375  0.00  0.00    +0.054 C 
ATOM     14  N   LIG    1        3.863   0.885  -0.454  0.00  0.00    -0.223 N 
ATOM     15  N   LIG    1        2.885   1.678   0.130  0.00  0.00    -0.170 NA
BRANCH  14  16
ATOM     16  C   LIG    1        5.244   1.085  -0.000  0.00  0.00    +0.241 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.370   0.633  -0.931  0.00  0.00    +0.407 C 
ATOM     18  F   LIG    1        6.216   1.094  -2.191  0.00  0.00    -0.169 F 
ATOM     19  F   LIG    1        6.462  -0.714  -0.995  0.00  0.00    -0.169 F 
ATOM     20  F   LIG    1        7.565   1.085  -0.478  0.00  0.00    -0.169 F 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   3   8
BRANCH   5  21
ATOM     21  O   LIG    1       -0.347   0.024   3.961  0.00  0.00    -0.390 OA
ATOM     22  H   LIG    1       -1.040   0.691   4.111  0.00  0.00    +0.210 HD
ENDBRANCH   5  21
BRANCH   1  23
ATOM     23  C   LIG    1       -2.595  -0.055  -1.105  0.00  0.00    +0.146 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -6.472   1.862   1.628  0.00  0.00    +0.069 C 
ATOM     25  C   LIG    1       -5.374   1.059   1.047  0.00  0.00    +0.081 A 
ATOM     26  N   LIG    1       -5.041  -0.119   1.588  0.00  0.00    -0.083 NA
ATOM     27  O   LIG    1       -4.007  -0.609   0.815  0.00  0.00    -0.359 OA
ATOM     28  C   LIG    1       -3.708   0.284  -0.168  0.00  0.00    +0.150 A 
ATOM     29  C   LIG    1       -4.558   1.360  -0.065  0.00  0.00    +0.071 A 
ENDBRANCH  23  28
BRANCH  23  30
ATOM     30  C   LIG    1       -2.313  -1.565  -1.291  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -3.539  -2.302  -1.855  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -1.137  -1.802  -2.248  0.00  0.00    +0.008 C 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 7