REMARK  Name = BDB031389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.353  -1.049   0.138  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.962  -1.633   1.443  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.771  -0.884   2.081  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.446  -0.872   1.238  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.102  -0.796  -0.203  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.302  -0.227  -0.508  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.107   0.739  -0.151  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1       -5.283   1.114   0.895  0.00  0.00    +0.156 A 
ATOM      9  F   LIG    1       -5.636   2.034   1.803  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.031   0.520   1.004  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -3.619  -0.444   0.074  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -4.525  -0.766  -0.958  0.00  0.00    +0.060 A 
ATOM     13  C   LIG    1       -4.174  -1.802  -1.990  0.00  0.00    +0.067 C 
ATOM     14  N   LIG    1       -5.753  -0.194  -1.087  0.00  0.00    -0.243 NA
BRANCH   7  18
ATOM     15  C   LIG    1       -9.505   1.252  -1.716  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -8.139   0.897  -1.445  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.688   0.148  -1.966  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -7.467   1.342  -0.322  0.00  0.00    +0.265 C 
ATOM     19  O   LIG    1       -7.940   2.145   0.471  0.00  0.00    -0.268 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        1.349   0.210   1.664  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.755   0.057   1.130  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.405   1.139   0.529  0.00  0.00    +0.152 A 
ATOM     23  F   LIG    1        2.767   2.313   0.401  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.711   1.019   0.054  0.00  0.00    +0.089 A 
ATOM     25  C   LIG    1        5.397  -0.200   0.182  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        6.753  -0.246  -0.340  0.00  0.00    +0.138 A 
ATOM     27  O   LIG    1        7.530  -1.389  -0.259  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        8.699  -1.034  -1.040  0.00  0.00    +0.234 C 
ATOM     29  C   LIG    1        8.699   0.478  -1.301  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        7.326   0.809  -0.901  0.00  0.00    +0.062 A 
ATOM     31  C   LIG    1        6.631   2.090  -1.046  0.00  0.00    +0.256 A 
ATOM     32  O   LIG    1        7.166   3.059  -1.570  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1        4.764  -1.286   0.789  0.00  0.00    +0.014 A 
ATOM     34  N   LIG    1        5.348   2.122  -0.555  0.00  0.00    -0.319 N 
ATOM     35  H   LIG    1        4.845   2.998  -0.641  0.00  0.00    +0.169 HD
ATOM     36  C   LIG    1        3.454  -1.156   1.264  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 4