REMARK  Name = BDB003366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.099   0.303   0.132  0.00  0.00    -0.276 N 
ATOM      2  C   LIG    1       -0.122   1.677   0.298  0.00  0.00    +0.158 A 
ATOM      3  C   LIG    1       -1.472   1.918   0.301  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1       -1.921   3.261   0.475  0.00  0.00    +0.228 A 
ATOM      5  O   LIG    1       -0.972   4.220   0.646  0.00  0.00    -0.424 OA
ATOM      6  C   LIG    1        0.340   3.834   0.642  0.00  0.00    +0.197 A 
ATOM      7  C   LIG    1        1.239   5.012   0.856  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -3.168   3.584   0.478  0.00  0.00    -0.266 NA
ATOM      9  H   LIG    1       -3.741   2.738   0.340  0.00  0.00    +0.190 HD
ATOM     10  C   LIG    1       -2.132   0.703   0.131  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -3.462   0.445   0.059  0.00  0.00    -0.241 NA
ATOM     12  C   LIG    1       -3.766  -0.848  -0.132  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1       -2.777  -1.857  -0.251  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.179  -3.171  -0.452  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -4.528  -3.518  -0.538  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.496  -2.531  -0.421  0.00  0.00    +0.002 A 
ATOM     17  N   LIG    1       -1.462  -1.599  -0.176  0.00  0.00    -0.225 NA
ATOM     18  C   LIG    1       -5.106  -1.206  -0.219  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        0.818   2.636   0.481  0.00  0.00    -0.198 NA
ATOM     20  C   LIG    1       -1.167  -0.293   0.029  0.00  0.00    +0.167 A 
ENDROOT
BRANCH   1  24
ATOM     21  C   LIG    1        3.871  -1.699  -0.030  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.790  -0.328  -0.256  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        2.551   0.329  -0.203  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        1.369  -0.371   0.077  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        1.463  -1.751   0.300  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        2.702  -2.403   0.247  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.227  -1.776  -0.324  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.008  -2.456  -0.051  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH   1  24
TORSDOF 2