REMARK  Name = BDB060322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.813   0.021   2.188  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.092  -0.128   0.838  0.00  0.00    +0.085 C 
BRANCH   2   6
ATOM      3  N   LIG    1        3.413  -0.802  -0.156  0.00  0.00    -0.327 N 
ATOM      4  C   LIG    1        2.285  -0.731  -1.115  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        1.109  -1.629  -0.657  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1        0.633  -1.404   0.730  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1        1.812  -1.497   1.625  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        3.003  -0.584   1.247  0.00  0.00    +0.120 C 
BRANCH   3  12
ATOM      9  C   LIG    1        7.023   0.924  -1.571  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.381  -0.084  -2.288  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.190  -0.638  -1.804  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.600  -0.204  -0.604  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.277   0.799   0.108  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.469   1.363  -0.369  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.229   1.965  -2.453  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.242   1.498  -2.059  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   3  12
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.746   1.242   2.228  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.996   1.212   1.371  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -3.578   2.438   1.143  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.177   3.276   1.548  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.706   2.654   0.385  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -5.160   3.781   0.221  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.332   1.456  -0.224  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -4.769   0.188   0.013  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.391  -0.945  -0.550  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -6.492  -0.766  -1.404  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -7.038   0.497  -1.631  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.463   1.613  -1.033  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -3.550   0.109   0.839  0.00  0.00    +0.031 A 
BRANCH  25  30
ATOM     30  N   LIG    1       -4.851  -2.246  -0.475  0.00  0.00    -0.357 N 
ATOM     31  H   LIG    1       -4.303  -2.412   0.362  0.00  0.00    +0.142 HD
ATOM     32  H   LIG    1       -4.292  -2.454  -1.301  0.00  0.00    +0.142 HD
ENDBRANCH  25  30
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7