REMARK  Name = BDB051286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.580   1.655   0.422  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        2.074   0.469  -0.001  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1        3.412   0.624   0.090  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        3.779   1.866   0.548  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        5.100   2.214   0.706  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        5.369   3.131   1.044  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        6.109   1.319   0.407  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        5.705  -0.032  -0.092  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        6.681  -0.979  -0.411  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.300  -2.241  -0.877  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.946  -2.560  -1.025  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.962  -1.622  -0.709  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        7.290   1.618   0.544  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        4.351  -0.363  -0.244  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        2.620   2.560   0.772  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -0.329   3.005   0.809  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.133   1.919   0.479  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1       -0.630   0.831   0.115  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -0.099   0.065  -0.291  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.054   0.936  -0.134  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.772  -0.405   0.096  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.189  -0.403  -0.307  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1       -5.012   0.473   0.557  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -6.505   0.387   0.193  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -6.986  -0.959   0.283  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -6.233  -1.806  -0.594  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -4.739  -1.777  -0.240  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 4