REMARK  Name = BDB006927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.289  -1.693  -0.689  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.193  -1.837  -1.528  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.878  -0.982  -1.856  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.742  -1.632  -2.735  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.869  -0.978  -3.185  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.178   0.279  -2.807  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.329   0.905  -1.948  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.294  -3.034  -3.047  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.128  -3.267  -4.551  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.261  -4.062  -2.448  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.161   0.312  -1.462  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.070  -3.070  -2.323  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.161  -2.571  -0.661  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.388  -0.427   0.172  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -2.663  -2.501   4.473  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.121  -1.507   3.408  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -3.299  -0.189   4.035  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -4.025  -0.248   4.747  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -3.700   0.780   3.009  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -2.729   0.878   1.786  0.00  0.00    +0.092 C 
ATOM     21  N   LIG    1       -2.478  -0.474   1.185  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -2.093  -1.435   2.255  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.394   1.875   0.798  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.486   2.675  -0.002  0.00  0.00    -0.270 N 
ATOM     25  N   LIG    1       -1.537   3.428   0.589  0.00  0.00    -0.180 NA
ATOM     26  C   LIG    1       -0.993   4.108  -0.423  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -1.563   3.772  -1.663  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -2.534   2.848  -1.359  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  29
ATOM     29  C   LIG    1        2.715   2.294  -1.487  0.00  0.00    +0.090 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.287   2.320  -0.088  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        4.625   1.959   0.132  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.157   1.960   1.422  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.357   2.316   2.506  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        3.024   2.667   2.302  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        2.490   2.668   1.012  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6