REMARK  Name = BDB034453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.500  -0.395  -0.074  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.756   0.354  -0.131  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -2.698   1.122  -0.796  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -4.011  -0.279  -0.204  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -5.193   0.503  -0.374  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -6.437  -0.173  -0.424  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -7.604   0.554  -0.610  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -7.581   1.939  -0.735  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -6.380   2.628  -0.670  0.00  0.00    +0.021 A 
ATOM     10 CL   LIG    1       -9.051   2.805  -0.961  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1       -6.552  -1.500  -0.288  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -5.429  -2.207  -0.071  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -5.195   1.916  -0.488  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.165  -1.652  -0.009  0.00  0.00    +0.043 A 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.127  -0.703   1.377  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.115  -1.589   1.491  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.290  -0.931   0.926  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        1.477  -0.062   1.428  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.475  -1.784   1.027  0.00  0.00    +0.116 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.964   0.290  -0.484  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1        4.974  -0.170  -1.360  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.851  -0.841  -0.871  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.696  -1.065   0.504  0.00  0.00    -0.034 A 
ATOM     24  C   LIG    1        4.680  -0.591   1.381  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.804   0.080   0.891  0.00  0.00    +0.004 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.920   2.530  -1.085  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        7.167   1.030  -1.010  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8