REMARK  Name = BDB012436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.502  -0.790   0.182  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -1.141  -0.802   0.285  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.009   0.009  -0.157  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        1.132  -0.970   0.119  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.646  -2.177   0.703  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        1.236  -3.178   1.068  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.774  -2.032   0.737  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.949  -2.724   0.991  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -2.120  -4.108   1.486  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -3.011  -1.973   0.652  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.463  -0.720  -0.229  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.828   0.292  -1.041  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.145   0.542  -1.394  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        4.424   1.657  -2.286  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        5.202  -0.245  -0.946  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        6.378  -0.064  -1.254  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.828  -1.365  -0.031  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.947  -2.207   0.494  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        3.536  -1.558   0.285  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1        0.192   1.311   0.606  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.147   2.537  -0.084  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.317   3.745   0.597  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.532   3.741   1.973  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.734   5.230   2.810  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.581   2.540   2.674  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.412   1.330   1.995  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -4.455  -0.045  -1.076  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1       -3.361   0.234  -0.260  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -3.167   1.552   0.159  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -4.048   2.543  -0.266  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.095   2.179  -1.092  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1       -5.311   0.914  -1.511  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1       -5.887  -1.554  -2.151  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -4.600  -1.314  -1.594  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4