REMARK  Name = BDB021815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.867   0.362  -1.879  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.815  -0.146  -1.499  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.592   0.547  -1.529  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -1.730  -1.441  -1.032  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -0.873  -1.917  -1.266  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.807  -2.274  -0.661  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.086  -1.790  -0.365  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.121  -2.661   0.025  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -4.856  -4.033   0.110  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -3.580  -4.506  -0.171  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -3.330  -5.818  -0.074  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.557  -3.643  -0.547  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.500  -2.124   0.314  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -7.246  -1.975  -0.814  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.224  -2.935   1.136  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.482  -0.906   0.922  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1        0.571   0.165  -0.676  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.367   0.532   0.800  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        1.460  -0.110   1.664  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        2.828  -0.029   1.120  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.915   0.912  -0.006  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        1.960   0.612  -1.168  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.357  -1.369   0.797  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.823  -1.364   0.497  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        5.729  -0.730   1.314  0.00  0.00    -0.347 N 
ATOM     26  H   LIG    1        5.484  -0.201   2.140  0.00  0.00    +0.167 HD
ATOM     27  C   LIG    1        6.971  -0.908   0.776  0.00  0.00    +0.104 A 
ATOM     28  C   LIG    1        6.765  -1.653  -0.359  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1        5.432  -1.929  -0.526  0.00  0.00    -0.239 NA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.645   1.890  -2.133  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.723   3.030  -1.143  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1        0.329   3.952  -1.030  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        0.256   5.003  -0.113  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.870   5.150   0.693  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.927   4.250   0.581  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1       -1.856   3.199  -0.334  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7