REMARK  Name = BDB012780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.841   0.075   0.781  0.00  0.00    +0.093 C 
ATOM      2  C   LIG    1        1.884   0.625  -0.288  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.550   0.386   0.250  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.568   0.707  -0.506  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.454   1.153  -1.646  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.608  -0.519   1.389  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        2.025  -1.075   1.371  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        7.195   0.747  -1.262  0.00  0.00    +0.129 C 
ATOM      9  N   LIG    1        6.184  -0.037  -0.596  0.00  0.00    -0.302 N 
ATOM     10  H   LIG    1        6.096  -0.999  -0.891  0.00  0.00    +0.150 HD
ATOM     11  C   LIG    1        4.990   0.551  -0.264  0.00  0.00    +0.300 C 
ATOM     12  N   LIG    1        4.125  -0.372   0.274  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        4.608  -1.069   0.823  0.00  0.00    +0.151 HD
ATOM     14  O   LIG    1        4.727   1.734  -0.417  0.00  0.00    -0.253 OA
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -1.861   0.490   0.090  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -2.197   0.744   1.389  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -1.607   1.134   2.115  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -3.466   0.439   1.701  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -4.003   0.062   0.533  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -3.042   0.095  -0.505  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.454  -0.321   0.455  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -6.234   0.616  -0.469  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.629  -1.776   0.016  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 3