REMARK  Name = BDB023856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.093   0.823   0.049  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        1.217   0.276  -0.143  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        2.047   0.846   0.825  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        3.410   0.533   0.942  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.963  -0.393   0.042  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        3.150  -0.979  -0.933  0.00  0.00    +0.009 A 
ATOM      7  N   LIG    1        1.275   1.714   1.562  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1        1.619   2.277   2.327  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        1.788  -0.657  -1.034  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -0.016   1.708   1.105  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.861   1.075   2.114  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.363   1.236   2.072  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.692   0.700   0.979  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -3.217   0.789   1.028  0.00  0.00    +0.146 C 
ATOM     15  C   LIG    1       -2.619   0.491  -0.300  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -1.276   0.487  -0.755  0.00  0.00    +0.100 A 
ATOM     17  N   LIG    1       -1.195   0.108  -2.039  0.00  0.00    -0.171 NA
ATOM     18  N   LIG    1       -2.469  -0.106  -2.412  0.00  0.00    -0.270 N 
ATOM     19  C   LIG    1       -2.745  -0.510  -3.769  0.00  0.00    +0.172 C 
ATOM     20  C   LIG    1       -3.351   0.075  -1.393  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.818  -0.121  -1.400  0.00  0.00    +0.074 C 
ATOM     22  C   LIG    1       -5.291  -0.292   0.059  0.00  0.00    +0.114 C 
ATOM     23  O   LIG    1       -4.781   1.833   2.978  0.00  0.00    -0.276 OA
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  C   LIG    1        5.373  -0.737   0.142  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.187  -1.087  -0.916  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.427  -1.309  -0.391  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.616  -1.696  -1.108  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.487  -1.126   0.940  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.238  -0.777   1.262  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
TORSDOF 2