REMARK  Name = BDB058462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.013   4.324   1.187  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.030   3.076   0.482  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.037   2.173   0.409  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.360   1.097  -0.385  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.486   0.037  -0.637  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.769   0.057  -0.063  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.161   1.165   0.725  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.678   1.336  -0.805  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.292   2.236   0.973  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.107   2.577  -0.278  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        3.196   3.104  -0.447  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.633  -1.036  -0.343  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1       -2.113  -1.905  -0.201  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.988  -1.188   0.063  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -5.015  -0.351  -0.408  0.00  0.00    +0.082 A 
ATOM     16 CL   LIG    1       -4.762   0.852  -1.621  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1       -6.305  -0.531   0.082  0.00  0.00    +0.132 A 
ATOM     18  N   LIG    1       -6.649  -1.466   0.999  0.00  0.00    -0.260 NA
ATOM     19  C   LIG    1       -5.652  -2.267   1.438  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1       -4.334  -2.169   1.009  0.00  0.00    +0.082 A 
ATOM     21 CL   LIG    1       -3.157  -3.256   1.651  0.00  0.00    -0.080 Cl
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        2.462   0.511  -1.691  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.595  -0.246  -0.985  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.201  -1.560  -0.278  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1        2.728  -2.627  -1.268  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        4.400  -2.098   0.512  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1        2.143  -1.344   0.651  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        2.360  -0.550   1.174  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6