REMARK  Name = BDB006956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.181   1.018  -1.804  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.999   1.144  -1.081  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.699   2.348  -0.860  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.878   2.105  -0.148  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -3.735   3.146   0.194  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.393   4.445  -0.184  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.210   4.683  -0.896  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -1.813   6.296  -1.351  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.064   0.638   0.130  0.00  0.00    +0.022 C 
ATOM     10  C   LIG    1       -3.285   0.284   1.621  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1       -4.014  -1.021   1.502  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -4.572  -1.167   0.227  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1       -5.327  -2.280  -0.100  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.509  -3.263   0.874  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.950  -3.117   2.154  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.200  -1.984   2.478  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.267   0.025  -0.631  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -1.353   3.636  -1.240  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -1.720   0.057  -0.396  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1        0.702   1.948  -2.424  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1        0.809  -0.395  -1.834  0.00  0.00    +0.181 C 
BRANCH  21  28
ATOM     22  C   LIG    1        4.686  -3.381  -1.976  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1        3.946  -2.218  -1.316  0.00  0.00    +0.065 C 
ATOM     24  N   LIG    1        4.942  -1.280  -0.775  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        5.194  -1.544   0.175  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        4.487   0.117  -0.823  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        2.950   0.325  -0.697  0.00  0.00    +0.092 C 
ATOM     28  N   LIG    1        2.276  -0.353  -1.833  0.00  0.00    -0.287 NA
ATOM     29  C   LIG    1        2.926  -1.585  -2.301  0.00  0.00    +0.103 C 
BRANCH  27  30
ATOM     30  C   LIG    1        2.416  -0.070   0.700  0.00  0.00    +0.163 C 
BRANCH  30  31
ATOM     31  N   LIG    1        3.101   0.582   1.800  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1        2.916   1.896   2.018  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        3.668   2.150   3.090  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        4.316   0.999   3.573  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        3.919  -0.006   2.722  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 4