REMARK  Name = BDB027760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.566   0.211   0.640  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        3.146  -0.386   1.690  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        2.372  -1.180   2.437  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.020  -1.394   2.169  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.268  -2.221   3.039  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        0.896  -2.814   4.119  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.200  -2.644   4.391  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.509  -0.734   1.032  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        2.889  -1.832   3.547  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        1.282   0.060   0.275  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        5.243   1.822   1.610  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        4.579   1.825   0.281  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.406   1.121  -0.126  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.241   1.481  -1.455  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.253   1.097  -2.489  0.00  0.00    +0.066 C 
ATOM     16  N   LIG    1        4.259   2.348  -1.736  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        4.455   2.817  -2.614  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        5.086   2.571  -0.709  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  N   LIG    1       -0.851  -0.908   0.725  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -1.021  -1.910   0.651  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.577  -0.189  -0.357  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -1.388   1.332  -0.204  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -1.089  -0.693  -1.720  0.00  0.00    +0.031 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.090  -0.549  -0.110  0.00  0.00    +0.059 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.160  -0.385  -1.218  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -4.269   1.018  -1.808  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.527  -0.788  -0.638  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -3.875  -1.302  -2.277  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -4.577  -1.221  -2.946  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 6