REMARK  Name = BDB012427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.982   0.323  -1.569  0.00  0.00    -0.231 N 
ATOM      2  C   LIG    1        0.798  -0.258  -1.220  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.030  -0.477  -0.018  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -1.163  -1.265  -0.629  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -1.028  -1.366  -2.046  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.752  -1.891  -2.874  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.210  -0.724  -2.354  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.047  -0.372  -3.401  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        0.870  -0.618  -4.851  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        2.115   0.299  -2.934  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.207  -1.831   0.110  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.320  -2.344  -0.452  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.363  -2.887   0.287  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.525  -3.391  -0.432  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.353  -2.934   1.682  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -5.274  -3.382   2.359  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.110  -2.398   2.316  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -2.969  -2.465   4.032  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.122  -1.895   1.562  0.00  0.00    +0.050 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1       -0.505   0.827   0.614  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.256   1.768  -0.115  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.682   2.960   0.477  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.364   3.227   1.805  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.888   4.693   2.534  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.626   2.309   2.547  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.200   1.116   1.956  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  30
ATOM     27  C   LIG    1        5.018   1.965   0.670  0.00  0.00    +0.318 A 
ATOM     28  N   LIG    1        5.054   2.137  -0.657  0.00  0.00    -0.201 NA
ATOM     29  C   LIG    1        4.043   1.583  -1.362  0.00  0.00    +0.145 A 
ATOM     30  C   LIG    1        3.007   0.879  -0.782  0.00  0.00    +0.102 A 
ATOM     31  C   LIG    1        3.085   0.745   0.583  0.00  0.00    +0.145 A 
ATOM     32  N   LIG    1        4.071   1.279   1.335  0.00  0.00    -0.201 NA
BRANCH  27  34
ATOM     33  C   LIG    1        5.975   2.365   2.761  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        6.061   2.546   1.355  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4