REMARK  Name = BDB049067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.637   0.352  -1.012  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -3.463   1.748  -0.615  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.931   2.036  -0.620  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.364   0.782  -1.340  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.351  -0.312  -0.905  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.062   0.369  -1.030  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.559   0.287   0.273  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.881  -0.117   0.519  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.765  -0.445  -0.519  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.237  -0.394  -1.819  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.918   0.006  -2.074  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        4.083  -0.862  -0.302  0.00  0.00    -0.321 N 
ATOM     13  C   LIG    1        4.531  -1.125   1.089  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1        5.955  -1.589   1.202  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1        6.782  -1.581   0.109  0.00  0.00    -0.332 N 
ATOM     16  C   LIG    1        8.012  -2.018   0.496  0.00  0.00    +0.107 A 
ATOM     17  C   LIG    1        7.880  -2.276   1.841  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1        6.356  -1.177  -1.214  0.00  0.00    +0.142 C 
ATOM     19  N   LIG    1        6.605  -2.001   2.272  0.00  0.00    -0.239 NA
ATOM     20  C   LIG    1        5.133  -0.253  -1.148  0.00  0.00    +0.127 C 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  21
ATOM     21  N   LIG    1       -1.601   3.367  -1.192  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -2.146   4.447  -0.361  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -0.161   3.569  -1.359  0.00  0.00    +0.104 C 
ENDBRANCH   3  21
BRANCH   1  24
ATOM     24  C   LIG    1       -4.818  -0.345  -0.513  0.00  0.00    +0.122 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -3.952  -3.120   0.442  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.403  -2.039   1.388  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -4.822  -0.762   0.944  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.293   0.148   1.905  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -5.768   1.343   1.523  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.305  -0.151   3.264  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.851  -1.389   3.699  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.408  -2.326   2.767  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 5