REMARK  Name = BDB012510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.728  -3.980  -2.070  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.805  -2.800  -1.177  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.734  -2.015  -0.717  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.302  -1.892  -0.790  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1        0.023  -0.771   0.026  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -1.192  -0.127   0.621  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1        0.418  -2.646  -1.425  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.232  -1.030   0.081  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1       -3.578  -1.143   0.156  0.00  0.00    -0.351 N 
ATOM     10  C   LIG    1       -4.482  -0.291   0.890  0.00  0.00    +0.148 C 
ATOM     11  C   LIG    1       -3.945  -2.229  -0.614  0.00  0.00    +0.089 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.353  -0.337   0.331  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.460  -0.867  -0.352  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        3.738  -0.402  -0.011  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        3.964   0.559   0.962  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1        5.308   0.809   1.057  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.935   0.040   0.176  0.00  0.00    -0.065 NA
ATOM     18  C   LIG    1        2.878   1.107   1.663  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        3.031   2.148   2.731  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        5.000  -0.690  -0.459  0.00  0.00    -0.247 N 
ATOM     21  C   LIG    1        5.395  -1.622  -1.481  0.00  0.00    +0.175 C 
ATOM     22  C   LIG    1        1.586   0.633   1.325  0.00  0.00    +0.029 A 
ENDBRANCH   5  12
BRANCH   6  23
ATOM     23  C   LIG    1       -1.410   1.317   0.196  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -1.224   1.734  -1.133  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -1.446   3.064  -1.502  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.862   3.987  -0.547  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -2.139   5.623  -1.000  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -2.061   3.592   0.774  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.839   2.264   1.144  0.00  0.00    +0.007 A 
ENDBRANCH   6  23
TORSDOF 2