REMARK  Name = BDB021850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.517  -0.374  -1.429  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.633   0.473  -1.526  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.537   1.656  -0.826  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.632   1.902  -0.473  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.614   0.154  -2.194  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.526   2.651  -0.664  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.144   3.821   0.009  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -4.059   4.856   0.220  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -5.359   4.723  -0.244  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -6.237   5.715  -0.043  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -5.761   3.573  -0.909  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -4.845   2.535  -1.115  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.260   0.415   0.341  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.144   0.611  -1.103  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.673   0.809  -1.481  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.283  -0.076  -0.657  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.470  -1.291  -0.104  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.637  -0.839   0.787  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        3.620   0.668   0.869  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.680  -0.322   0.367  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        3.585   0.770   2.416  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.778   0.177   3.583  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        4.884   1.288   3.050  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.521  -1.550  -2.315  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.892  -2.846  -1.626  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.108  -3.995  -1.816  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.451  -5.201  -1.202  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.589  -5.278  -0.401  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.387  -4.152  -0.220  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.045  -2.945  -0.833  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7