REMARK  Name = BDB052737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.934   1.673  -0.708  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -1.733   2.768  -1.242  0.00  0.00    +0.178 A 
ATOM      3  N   LIG    1       -3.092   2.648  -1.303  0.00  0.00    -0.302 N 
ATOM      4  C   LIG    1       -3.570   3.816  -1.831  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.451   4.588  -2.065  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1       -3.716   1.499  -0.870  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.946   0.500  -0.390  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -1.303   3.929  -1.695  0.00  0.00    -0.233 NA
ATOM      9  N   LIG    1       -1.562   0.594  -0.301  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.568  -0.749   0.100  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.053  -1.400   1.221  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1       -3.547  -2.551   1.743  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -4.604  -3.096   1.107  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.186  -2.546  -0.023  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.657  -1.360  -0.532  0.00  0.00    +0.013 A 
ENDBRANCH   7  10
BRANCH   1  16
ATOM     16  N   LIG    1        0.435   1.843  -0.652  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1        0.746   2.747  -0.995  0.00  0.00    +0.154 HD
BRANCH  16  21
ATOM     18  C   LIG    1        3.638  -0.667   0.563  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        2.335  -1.171   0.517  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.263  -0.362   0.113  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.459   0.969  -0.260  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.772   1.463  -0.205  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.848   0.659   0.198  0.00  0.00    +0.025 A 
BRANCH  18  26
ATOM     24  C   LIG    1        6.788  -2.468   1.591  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        6.006  -1.271   1.108  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1        4.657  -1.546   0.981  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1        4.358  -2.483   1.221  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        6.567  -0.202   0.895  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 4