REMARK  Name = BDB062086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.722  -0.393  -0.695  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1        0.757   0.408  -0.200  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -0.499  -0.124  -0.129  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.758  -1.455  -0.521  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1        0.232  -2.245  -1.029  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        1.463  -1.689  -1.103  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.514   0.826   0.360  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.316   1.516   1.571  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.268   2.419   2.055  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.430   2.652   1.325  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.719   3.870   1.976  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -3.644   1.997   0.116  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -2.689   1.095  -0.365  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.064  -2.131  -0.412  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.787  -2.163   0.794  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -4.028  -2.804   0.877  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.556  -3.436  -0.246  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -6.231  -4.302  -0.136  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -3.853  -3.437  -1.447  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -2.615  -2.793  -1.525  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        3.018   0.063  -0.806  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.170   1.432  -0.425  0.00  0.00    +0.232 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.632   1.840  -0.605  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.560   1.045   0.312  0.00  0.00    +0.081 C 
BRANCH  24  25
ATOM     25  N   LIG    1        6.940   1.494   0.149  0.00  0.00    -0.330 NA
ATOM     26  H   LIG    1        7.020   2.473   0.421  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1        7.542   0.971   0.785  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7