REMARK  Name = BDB002140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022   1.280  -2.230  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.699   0.930  -0.932  0.00  0.00    -0.025 A 
ATOM      3  C   LIG    1        1.006   0.385   0.162  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        1.756   0.106   1.303  0.00  0.00    +0.136 A 
ATOM      5  N   LIG    1        3.092   0.325   1.424  0.00  0.00    -0.238 NA
ATOM      6  C   LIG    1        3.735   0.848   0.365  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        3.082   1.159  -0.817  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -0.386   0.151   0.052  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.806   0.398  -0.831  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.229  -0.376   1.016  0.00  0.00    +0.223 C 
ATOM     11  O   LIG    1       -0.875  -0.726   2.138  0.00  0.00    -0.275 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -2.701  -0.497   0.564  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -3.286   0.892   0.204  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -4.757   0.764  -0.228  0.00  0.00    -0.009 C 
ATOM     15  C   LIG    1       -4.846  -0.166  -1.450  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -4.300  -1.560  -1.096  0.00  0.00    -0.009 C 
ATOM     17  C   LIG    1       -5.121  -2.147   0.062  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -5.030  -1.226   1.289  0.00  0.00    -0.009 C 
ATOM     19  C   LIG    1       -5.576   0.163   0.926  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -2.828  -1.431  -0.664  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -3.558  -1.095   1.712  0.00  0.00    +0.019 C 
ENDBRANCH  10  12
ENDBRANCH   3   8
BRANCH   6  22
ATOM     22  N   LIG    1        5.098   1.034   0.584  0.00  0.00    -0.270 N 
ATOM     23  H   LIG    1        5.384   0.743   1.508  0.00  0.00    +0.156 HD
ATOM     24  C   LIG    1        6.035   1.539  -0.274  0.00  0.00    +0.221 C 
ATOM     25  O   LIG    1        5.865   1.956  -1.409  0.00  0.00    -0.275 OA
BRANCH  24  26
ATOM     26  C   LIG    1        7.399   1.588   0.322  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1        8.550   0.919  -0.395  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        8.050   0.352   0.900  0.00  0.00    +0.013 C 
ENDBRANCH  24  26
ENDBRANCH   6  22
TORSDOF 4