REMARK  Name = BDB052283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.187   0.310  -0.359  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.048   0.440   0.445  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.785   1.567   0.292  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.453   2.529  -0.653  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -1.432   3.480  -0.556  0.00  0.00    -0.277 N 
ATOM      6  H   LIG    1       -1.520   4.332  -1.096  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -2.359   3.226   0.379  0.00  0.00    -0.178 NA
ATOM      8  C   LIG    1        0.673   2.433  -1.472  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -1.989   2.041   0.885  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1        1.484   1.302  -1.304  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        1.180  -2.052   1.453  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.034  -1.856   0.591  0.00  0.00    +0.222 C 
ATOM     13  N   LIG    1        2.077  -0.783  -0.283  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        2.871  -0.747  -0.911  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1        3.135  -2.886   0.362  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.508  -2.305   0.116  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        5.140  -1.535   1.103  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        6.401  -0.985   0.870  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.044  -1.203  -0.347  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.429  -1.974  -1.331  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.167  -2.525  -1.102  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   9  22
ATOM     22  C   LIG    1       -2.805   1.399   1.962  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.458   0.075   1.549  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.529   0.216   0.494  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -4.251  -0.089  -0.846  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.239   0.046  -1.822  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.513   0.490  -1.470  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.798   0.801  -0.141  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.811   0.667   0.836  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6