REMARK  Name = BDB016459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.304  -0.913  -0.004  0.00  0.00    +0.158 C 
ATOM      2  N   LIG    1       -2.043  -0.369  -0.065  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -1.017  -1.163  -0.009  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -1.234  -2.657   0.143  0.00  0.00    +0.079 C 
ATOM      5  C   LIG    1       -2.426  -2.765   1.086  0.00  0.00    +0.131 C 
ATOM      6  C   LIG    1       -2.771  -4.242   1.332  0.00  0.00    +0.108 C 
ATOM      7  N   LIG    1       -1.627  -4.992   1.874  0.00  0.00    -0.314 NA
ATOM      8  H   LIG    1       -1.383  -4.598   2.784  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -0.470  -4.902   0.983  0.00  0.00    +0.082 C 
ATOM     10  C   LIG    1       -0.058  -3.455   0.705  0.00  0.00    +0.028 C 
ATOM     11  N   LIG    1       -3.573  -2.073   0.498  0.00  0.00    -0.260 NA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.590   1.273  -0.343  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1       -4.395  -0.100  -0.611  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.240  -0.776  -1.508  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -6.258  -0.097  -2.174  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.437   1.263  -1.950  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.613   1.940  -1.047  0.00  0.00    +0.004 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.782   2.989  -0.018  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -3.758   2.038   0.678  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -4.622   2.802   1.691  0.00  0.00    +0.012 C 
ENDBRANCH  12  19
ENDBRANCH   1  13
BRANCH   3  21
ATOM     21  N   LIG    1        0.264  -0.677  -0.121  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1        1.005  -1.327  -0.354  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.534   0.695  -0.498  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.026   0.914  -0.538  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.740   1.146   0.644  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.127   1.323   0.614  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        4.838   1.265  -0.595  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        4.115   1.020  -1.773  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        2.728   0.844  -1.747  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.298   1.452  -0.625  0.00  0.00    -0.018 A 
ATOM     31  C   LIG    1        7.139   0.489  -1.206  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        8.526   0.665  -1.234  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        9.094   1.810  -0.683  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.278   2.777  -0.102  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.892   2.599  -0.073  0.00  0.00    +0.008 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6