REMARK  Name = BDB055641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.858  -0.366  -0.019  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.562  -0.891   0.129  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.439  -0.037   0.043  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        1.662   1.323  -0.182  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        0.432   1.942  -0.206  0.00  0.00    -0.355 N 
ATOM      6  H   LIG    1        0.304   2.939  -0.324  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.581   1.027  -0.028  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        2.940   1.872  -0.331  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.027  -0.203   0.144  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1        4.035   1.004  -0.247  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.013   1.464  -0.015  0.00  0.00    +0.156 C 
ATOM     12  C   LIG    1       -2.953   0.601  -0.813  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -3.960   0.080   0.019  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -4.940  -0.747  -0.523  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -4.889  -1.031  -1.898  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -3.881  -0.500  -2.715  0.00  0.00    +0.001 A 
ATOM     17 BR   LIG    1       -6.365  -1.530   0.445  0.00  0.00    -0.048 Br
ATOM     18  N   LIG    1       -3.732   0.547   1.332  0.00  0.00    -0.272 N 
ATOM     19  C   LIG    1       -4.510   0.222   2.496  0.00  0.00    +0.138 C 
ATOM     20  C   LIG    1       -2.902   0.328  -2.174  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.596   1.365   1.402  0.00  0.00    +0.233 C 
ATOM     22  O   LIG    1       -2.148   1.923   2.394  0.00  0.00    -0.274 OA
ENDBRANCH   7  11
BRANCH   1  23
ATOM     23  C   LIG    1        5.006  -1.310   0.077  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        4.882  -2.510   0.265  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        7.333  -1.495   0.012  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        6.183  -0.651  -0.072  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   9  27
ATOM     27  N   LIG    1       -0.710  -1.446   0.404  0.00  0.00    -0.028 NA
ATOM     28  O   LIG    1       -0.097  -2.488   0.152  0.00  0.00    -0.143 OA
ENDBRANCH   9  27
TORSDOF 4