REMARK  Name = BDB016781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.811   0.161   0.012  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.766   0.224  -0.908  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1        1.851   0.133  -1.911  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.638   0.396  -0.186  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -0.809   0.515  -0.401  0.00  0.00    +0.161 C 
ATOM      6  N   LIG    1       -1.270   0.644   1.026  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.167   0.571   1.947  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1       -0.166   0.636   3.165  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.002   0.418   1.117  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1        2.344   0.285   1.255  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.600   0.877   1.392  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.029   0.875   2.669  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.353   1.094   3.022  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -4.700   1.057   4.435  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.351   1.325   2.083  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.535   1.507   2.356  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.900   1.351   0.658  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -5.949   1.623  -0.372  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.604   1.142   0.369  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.361  -0.686  -1.149  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.668  -0.569  -2.517  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.158  -1.663  -3.235  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.338  -2.887  -2.595  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.939  -4.232  -3.482  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.030  -3.028  -1.246  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.540  -1.934  -0.526  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  30
ATOM     27  C   LIG    1        6.913  -0.344  -0.838  0.00  0.00    +0.214 A 
ATOM     28  N   LIG    1        6.525  -0.172   0.440  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        5.193  -0.016   0.654  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        4.219  -0.020  -0.345  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.669  -0.202  -1.657  0.00  0.00    +0.018 A 
ATOM     32  C   LIG    1        6.033  -0.366  -1.907  0.00  0.00    +0.068 A 
BRANCH  27  34
ATOM     33  C   LIG    1        9.088  -0.481   0.009  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        8.249  -0.510  -1.142  0.00  0.00    -0.480 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4