REMARK  Name = BDB021258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.999  -2.936  -0.140  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.052  -2.070   0.037  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.522  -0.862  -0.015  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        1.151  -0.924  -0.169  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.340   0.223  -0.222  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.881   1.409  -0.169  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.251   1.482  -0.022  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.107   0.438   0.053  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.814  -2.252  -0.281  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.554   0.695   0.226  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.312  -0.039   1.138  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        6.637   0.144   1.363  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        7.253   1.088   0.623  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.605   1.861  -0.326  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.240   1.658  -0.526  0.00  0.00    +0.011 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        2.305  -5.510  -0.196  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        2.188  -4.354  -0.171  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -1.025   0.107  -0.357  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.384   1.017  -0.641  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.810  -0.354   0.784  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.237  -0.539   0.365  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.160   0.502   0.354  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.023   1.913   0.789  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.318   2.481   0.208  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.264   1.404   0.027  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.474   0.285  -0.042  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.930  -0.954  -0.445  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.018  -2.008  -0.461  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -3.691  -1.794  -0.064  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -2.842  -2.833  -0.085  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5