REMARK  Name = BDB012876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.054  -1.581   1.440  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.010  -0.728   1.697  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.074   0.703   1.400  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.439   1.143   1.942  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.605   0.238   3.162  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.995  -1.084   2.709  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.167  -2.652   2.031  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.848  -0.695  -0.724  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -2.817  -0.356  -1.509  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -1.737  -0.703  -0.791  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -0.825  -0.607  -1.222  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.023  -1.157   0.465  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.401  -1.217   0.512  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.599   0.958  -1.435  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.268  -0.514  -1.180  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.581  -1.360  -2.416  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.500   0.916   0.966  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.443   0.075   0.395  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.740   1.498   1.106  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1        3.991   2.325   1.978  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.786   1.086   0.078  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.884  -0.416  -0.057  0.00  0.00    +0.172 C 
ATOM     23  O   LIG    1        3.872  -0.778  -1.011  0.00  0.00    -0.379 OA
ATOM     24  C   LIG    1        3.715   0.320  -1.924  0.00  0.00    +0.160 C 
ATOM     25  C   LIG    1        4.419   1.524  -1.323  0.00  0.00    +0.043 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4