REMARK  Name = BDB012578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.431  -0.876   1.539  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        1.184  -0.703   0.943  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1        0.366  -1.150  -0.151  0.00  0.00    +0.254 C 
ATOM      4  N   LIG    1       -0.883  -0.471  -0.004  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.865   0.470   1.173  0.00  0.00    +0.159 C 
ATOM      6  O   LIG    1        0.735  -1.966  -0.977  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.493   0.201   1.690  0.00  0.00    +0.056 A 
ATOM      8  N   LIG    1        1.249   0.607   2.739  0.00  0.00    -0.351 N 
ATOM      9  C   LIG    1        0.881   1.553   3.766  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        2.457  -0.063   2.662  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.034  -0.707  -0.765  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.241  -0.194  -0.440  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -4.365  -0.498  -1.207  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.340  -1.316  -2.318  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.555  -1.426  -2.812  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.400  -0.679  -2.028  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.082  -1.863  -2.720  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -2.940  -2.738  -3.939  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -5.687  -0.126  -1.068  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -6.199   0.743   0.012  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -1.993  -1.552  -1.969  0.00  0.00    +0.032 A 
ENDBRANCH   4  11
BRANCH   1  26
ATOM     22  C   LIG    1        6.626  -1.557  -1.924  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        6.603  -1.594  -0.422  0.00  0.00    +0.212 C 
ATOM     24  N   LIG    1        5.375  -1.837   0.132  0.00  0.00    -0.300 N 
ATOM     25  C   LIG    1        4.035  -1.589  -0.396  0.00  0.00    +0.117 C 
ATOM     26  C   LIG    1        3.533  -1.848   1.043  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        4.979  -1.575   1.511  0.00  0.00    +0.117 C 
ATOM     28  O   LIG    1        7.616  -1.413   0.250  0.00  0.00    -0.276 OA
ENDBRANCH   1  26
BRANCH   5  29
ATOM     29  C   LIG    1       -1.067   1.930   0.803  0.00  0.00    -0.021 A 
ATOM     30  C   LIG    1       -1.902   2.740   1.593  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.083   4.094   1.280  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -1.431   4.652   0.178  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -1.652   6.321  -0.206  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -0.598   3.868  -0.611  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -0.415   2.514  -0.300  0.00  0.00    +0.007 A 
ENDBRANCH   5  29
TORSDOF 3