REMARK  Name = BDB012877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302   0.594   0.521  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.118  -0.129   0.541  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.124   0.528   0.926  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.204  -0.545   0.745  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.646  -1.376  -0.409  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.150  -1.399  -0.120  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.308   1.796   0.778  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.520  -0.748  -0.548  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.025  -1.806   0.107  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.845  -1.372   0.578  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.316  -1.991   1.181  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.510  -0.110   0.178  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.616   0.341  -0.516  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.846   0.188  -0.577  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.875  -0.822  -1.192  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.788  -0.628  -2.708  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.525  -0.013   0.465  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        3.795   0.106  -0.503  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.281   0.560   1.474  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1        3.885   0.558   2.642  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.626   1.197   1.031  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1        6.595   0.326   0.174  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1        6.149   1.180  -1.028  0.00  0.00    +0.135 C 
ATOM     24  O   LIG    1        6.162   1.019  -2.228  0.00  0.00    -0.297 OA
ATOM     25  C   LIG    1        5.582   2.270  -0.099  0.00  0.00    +0.087 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4