REMARK  Name = BDB064454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.725   0.604   1.191  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        3.750   0.271   0.403  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        3.473  -0.200  -0.815  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.166  -0.349  -1.288  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        1.949  -0.881  -2.586  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.021  -1.240  -3.400  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.316  -1.077  -2.929  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.159   0.051  -0.395  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        4.527  -0.563  -1.646  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        1.441   0.503   0.839  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        4.106   0.523   3.129  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        2.952   1.094   2.472  0.00  0.00    -0.316 N 
ATOM     13  H   LIG    1        2.073   0.983   2.966  0.00  0.00    +0.149 HD
ENDBRANCH   1  12
BRANCH   8  14
ATOM     14  N   LIG    1       -0.197  -0.047  -0.795  0.00  0.00    -0.328 N 
ATOM     15  H   LIG    1       -0.299   0.457  -1.673  0.00  0.00    +0.147 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.165   0.412   0.201  0.00  0.00    +0.106 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.596   0.217  -0.332  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -3.594   0.944   0.589  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -4.989   0.339   0.484  0.00  0.00    +0.081 C 
ATOM     20  N   LIG    1       -5.036  -1.070   0.871  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -5.340  -1.161   1.840  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.770  -1.784   0.699  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -2.967  -1.271  -0.493  0.00  0.00    +0.020 C 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
TORSDOF 4