REMARK  Name = BDB060671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.959  -1.364   0.354  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -1.746  -0.763   0.257  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1       -0.739  -1.380   0.927  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -0.929  -2.543   1.660  0.00  0.00    +0.154 A 
ATOM      5  O   LIG    1        0.238  -2.945   2.227  0.00  0.00    -0.461 OA
ATOM      6  C   LIG    1        1.181  -2.036   1.857  0.00  0.00    +0.206 A 
ATOM      7  C   LIG    1       -2.161  -3.166   1.768  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        0.643  -1.050   1.048  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.201  -2.536   1.081  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -5.448   1.776  -2.579  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.113   0.704  -1.673  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -6.084  -0.110  -1.220  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.428  -0.963  -0.427  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -4.039  -0.703  -0.366  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -3.877   0.393  -1.191  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1        1.403   0.068   0.507  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1        2.763  -0.068   0.179  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.499   1.013  -0.334  0.00  0.00    -0.014 A 
ATOM     19  C   LIG    1        2.854   2.241  -0.524  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        1.502   2.387  -0.210  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.782   1.306   0.301  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.903   0.843  -0.670  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.865   1.829  -0.599  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1        7.041   1.249  -0.979  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        7.959   1.675  -1.043  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        6.920  -0.051  -1.291  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        5.620  -0.296  -1.104  0.00  0.00    +0.142 A 
ENDBRANCH  18  22
ENDBRANCH   8  16
TORSDOF 3