REMARK  Name = BDB027861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.352   1.173  -1.009  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.206   2.234  -1.353  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.483   2.182  -0.794  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.335   3.226  -1.127  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.039   4.273  -1.942  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.803   4.285  -2.470  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.887   1.194   0.018  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.000   0.224   0.286  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.864   3.305  -2.212  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.753   0.173  -0.210  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.420  -0.861   1.192  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.507  -1.816   1.664  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.946  -2.818   2.516  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.221  -2.942   2.933  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.094  -2.019   2.480  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.748  -0.983   1.627  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.972   1.173  -1.517  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -1.393   2.024  -1.131  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.874   0.027  -1.154  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -3.204   0.316  -1.881  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -1.276  -1.276  -1.711  0.00  0.00    +0.041 C 
BRANCH  19  24
ATOM     22  C   LIG    1       -2.672  -0.902   2.565  0.00  0.00    +0.131 C 
ATOM     23  N   LIG    1       -2.616  -1.004   1.113  0.00  0.00    -0.306 N 
ATOM     24  C   LIG    1       -2.167   0.097   0.394  0.00  0.00    +0.238 C 
ATOM     25  O   LIG    1       -2.060   1.199   0.958  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1       -3.040  -2.280   0.565  0.00  0.00    +0.131 C 
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4