REMARK  Name = BDB027786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.734   0.684   0.509  0.00  0.00    +0.180 A 
ATOM      2  N   LIG    1        1.930   1.247   1.708  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.887   1.265   2.547  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.359   0.733   2.217  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.402   0.763   3.175  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.165   1.339   4.409  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.017   1.879   4.750  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.456   0.186   0.922  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.000   1.818   3.814  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        0.586   0.154   0.072  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.814  -0.016  -2.552  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        2.925   0.317  -1.692  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1        2.903   0.643  -0.356  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.227   0.925  -0.049  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.947   0.729  -1.234  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        4.161   0.357  -2.241  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   8  17
ATOM     17  N   LIG    1       -1.702  -0.374   0.516  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -2.412   0.342   0.653  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.924  -1.116  -0.704  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -1.900  -0.224  -1.975  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.198  -0.918  -2.430  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -3.455  -1.287  -0.957  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -1.156  -2.430  -0.724  0.00  0.00    +0.031 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 3