REMARK  Name = BDB013241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.018  -0.359   0.152  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.467   0.948  -0.044  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        2.790   1.272  -0.249  0.00  0.00    +0.191 A 
ATOM      4  N   LIG    1        2.878   2.577  -0.416  0.00  0.00    -0.127 NA
ATOM      5  N   LIG    1        1.619   3.118  -0.283  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.734   0.202  -0.229  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        3.215  -1.028   0.000  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1        0.790   2.131  -0.037  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.883  -1.335   0.195  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1        5.112   0.453  -0.433  0.00  0.00    -0.215 N 
ATOM     11  N   LIG    1        5.704   1.660  -0.675  0.00  0.00    -0.153 NA
ATOM     12  C   LIG    1        6.994   1.366  -0.793  0.00  0.00    +0.245 A 
ATOM     13  N   LIG    1        7.310   0.058  -0.651  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1        6.139  -0.490  -0.429  0.00  0.00    +0.225 A 
ENDBRANCH   6  10
BRANCH   1  15
ATOM     15  N   LIG    1       -0.320  -0.635   0.331  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -0.387  -1.600   0.660  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.236  -0.497  -0.801  0.00  0.00    +0.143 C 
BRANCH  17  20
ATOM     18  F   LIG    1       -2.489  -2.833  -1.789  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.189  -2.087  -0.922  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -2.616  -0.923  -0.391  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.390  -0.200   0.512  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.113   1.084   1.201  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.258   1.077   2.215  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.312   0.216   1.729  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.673  -0.616   0.847  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.245  -1.753   0.314  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -4.483  -2.503  -0.581  0.00  0.00    +0.042 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4