REMARK  Name = BDB063141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.043   0.693  -0.034  0.00  0.00    -0.253 N 
ATOM      2  H   LIG    1        1.511   1.520   0.289  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.889  -0.365  -0.280  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1        3.192  -0.124  -0.042  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        4.093  -1.119  -0.255  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        3.693  -2.357  -0.716  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        4.545  -3.360  -0.963  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        2.350  -2.519  -0.933  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        1.440  -1.549  -0.720  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.500  -0.766   0.037  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.958   0.552  -0.168  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.293   0.920   0.102  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        8.169  -0.051   0.589  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1        9.719   0.660   0.831  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        9.106   2.160   0.280  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.753  -1.370   0.815  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1        7.841   2.181  -0.071  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1        6.420  -1.703   0.535  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -3.007   1.299  -0.366  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -2.127   2.267   0.051  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1       -0.794   2.062   0.166  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1       -0.318   0.850  -0.176  0.00  0.00    +0.222 A 
ATOM     23  N   LIG    1       -1.107  -0.139  -0.626  0.00  0.00    -0.222 NA
ATOM     24  C   LIG    1       -2.432   0.108  -0.729  0.00  0.00    +0.129 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -4.761   2.654  -0.997  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1       -4.440   1.583  -0.486  0.00  0.00    +0.250 C 
ATOM     27  N   LIG    1       -5.368   0.656  -0.027  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1       -5.079  -0.436   0.917  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -6.263  -0.712   1.861  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -7.520  -1.036   1.169  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -8.304  -0.799   1.778  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.655  -0.333  -0.117  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -6.787   0.928  -0.270  0.00  0.00    +0.123 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4