REMARK  Name = BDB020934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.813  -0.194  -0.167  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.607  -0.991   0.108  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -1.308  -0.169  -0.018  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.215   0.585  -1.274  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.034   0.939  -1.906  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.022   1.574  -2.962  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.484   1.049  -1.845  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.618   1.116  -0.810  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.142  -0.491   2.328  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -6.719   0.695   1.759  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -5.637   0.802   0.949  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -4.910  -0.305   0.677  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.293  -1.540   1.207  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -6.411  -1.636   2.041  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.227  -0.560   3.859  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.293  -0.529   3.171  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.256   0.503  -1.238  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.479   1.064  -1.953  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.779   0.663  -1.299  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        4.905   1.152  -1.908  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.836   1.734  -2.732  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        6.175   0.896  -1.462  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1        7.168   1.344  -2.023  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        6.270   0.046  -0.263  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        5.075  -0.412   0.298  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        5.163  -1.219   1.436  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1        6.395  -1.559   1.998  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        7.575  -1.090   1.423  0.00  0.00    +0.004 A 
ATOM     29  F   LIG    1        4.047  -1.688   2.017  0.00  0.00    -0.203 F 
ATOM     30  C   LIG    1        7.516  -0.284   0.287  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        3.816  -0.086  -0.246  0.00  0.00    -0.231 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5