REMARK  Name = BDB014091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.261  -0.021  -0.453  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        2.419   0.285   0.549  0.00  0.00    -0.164 NA
ATOM      3  C   LIG    1        1.813  -0.879   0.871  0.00  0.00    +0.168 A 
ATOM      4  C   LIG    1        0.980  -0.997   2.082  0.00  0.00    +0.266 C 
ATOM      5  N   LIG    1        0.173   0.055   2.462  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -0.339  -0.125   3.314  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -0.088   1.264   1.708  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -1.358   1.962   2.183  0.00  0.00    +0.060 C 
ATOM      9  C   LIG    1       -1.706   3.134   1.262  0.00  0.00    +0.232 C 
ATOM     10  O   LIG    1       -3.121   3.188   0.991  0.00  0.00    -0.475 OA
ATOM     11  C   LIG    1       -3.607   2.239   0.152  0.00  0.00    +0.233 A 
ATOM     12  N   LIG    1       -2.879   1.309  -0.366  0.00  0.00    -0.130 NA
ATOM     13  N   LIG    1       -3.530   0.370  -1.144  0.00  0.00    -0.222 N 
ATOM     14  C   LIG    1       -2.714  -0.740  -1.634  0.00  0.00    +0.182 C 
ATOM     15  C   LIG    1       -2.254  -1.695  -0.548  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -0.975  -2.276  -0.622  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -0.556  -3.209   0.339  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        0.745  -3.912   0.216  0.00  0.00    +0.248 C 
ATOM     19  N   LIG    1        1.879  -3.244  -0.179  0.00  0.00    -0.278 N 
ATOM     20  H   LIG    1        2.588  -3.856  -0.564  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        0.765  -5.138   0.327  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1       -1.427  -3.592   1.363  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -2.696  -3.024   1.446  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.109  -2.090   0.494  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.896   0.402  -1.407  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -5.507  -0.422  -2.081  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -5.649   1.528  -0.804  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -5.042   2.431  -0.033  0.00  0.00    +0.074 A 
ATOM     29  O   LIG    1        0.988  -2.007   2.787  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        2.224  -1.915  -0.025  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.200  -1.339  -0.806  0.00  0.00    +0.133 A 
ENDROOT
BRANCH   1  33
ATOM     32  C   LIG    1        3.910   2.399  -0.402  0.00  0.00    +0.036 C 
ATOM     33  C   LIG    1        4.132   1.012  -1.046  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        5.608   0.621  -0.841  0.00  0.00    +0.036 C 
ATOM     35  C   LIG    1        3.833   1.136  -2.553  0.00  0.00    +0.036 C 
ENDBRANCH   1  33
TORSDOF 1