REMARK  Name = BDB027570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.448  -1.928  -1.730  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.163  -1.667  -2.159  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.631  -0.465  -1.895  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.993  -0.762  -2.536  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.097  -2.285  -2.484  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.658  -2.723  -2.726  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.990  -3.025  -1.829  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.702   1.185   0.151  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        3.380  -0.002   0.828  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1        3.791  -0.166   2.097  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        2.646  -1.016   0.225  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        2.208  -0.838  -1.086  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.537   0.324  -1.792  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.277   1.337  -1.170  0.00  0.00    +0.027 A 
BRANCH   8  16
ATOM     15  C   LIG    1        4.870   3.380   0.421  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        4.452   2.146   0.866  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        4.691   1.870   1.811  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        4.660   3.877  -0.678  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        6.133   5.336   1.220  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        5.648   4.111   1.463  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -3.130  -0.040  -1.989  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -3.947  -0.004  -2.589  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.606  -0.302  -0.721  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -2.784  -0.703   0.256  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -3.303  -0.937   1.467  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.664  -0.777   1.738  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -5.189  -1.028   3.020  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.334  -1.442   4.030  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -2.979  -1.610   3.785  0.00  0.00    +0.040 A 
ATOM     30  F   LIG    1       -4.822  -1.684   5.253  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.426  -0.362   0.661  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -2.476  -1.355   2.505  0.00  0.00    +0.031 A 
ATOM     33  N   LIG    1       -4.922  -0.126  -0.565  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5