REMARK  Name = BDB012633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.572  -0.918   0.107  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -0.939  -0.193   1.097  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.328  -0.538   1.030  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.543  -1.451   0.038  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -0.658  -1.711  -0.558  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -5.190   0.045   0.269  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.823  -0.009   0.563  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.998  -0.845  -0.181  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.463  -1.621  -1.194  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -4.781  -1.555  -1.462  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -5.672  -0.751  -0.771  0.00  0.00    +0.030 A 
BRANCH   6  14
ATOM     12  F   LIG    1       -8.281   0.469   0.131  0.00  0.00    -0.182 F 
ATOM     13  C   LIG    1       -7.417   1.076   0.952  0.00  0.00    +0.237 A 
ATOM     14  C   LIG    1       -6.054   0.918   1.045  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1       -5.597   1.755   2.040  0.00  0.00    -0.127 NA
ATOM     16  N   LIG    1       -6.631   2.414   2.552  0.00  0.00    -0.065 NA
ATOM     17  N   LIG    1       -7.727   2.003   1.896  0.00  0.00    -0.232 N 
ATOM     18  H   LIG    1       -8.628   2.392   2.143  0.00  0.00    +0.193 HD
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1        1.814  -2.057  -0.304  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.531  -1.349  -1.457  0.00  0.00    +0.057 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.118  -0.007  -1.058  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1        4.356   0.115  -0.364  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1        4.805   1.411   0.000  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        6.019   1.568   0.689  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.803   0.466   1.026  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.381  -0.809   0.678  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.036   2.537  -0.325  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.829   2.407  -1.002  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.175  -0.982  -0.008  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        2.373   1.145  -1.366  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5