REMARK  Name = BDB012590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.195   0.818  -3.616  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        2.727   0.817  -2.209  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        1.469   0.411  -1.738  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        0.208  -0.119  -2.184  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1       -0.585  -0.280  -1.007  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.135   0.212   0.222  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1       -0.055  -0.378  -3.348  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.436   0.580  -0.388  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.637   1.034   0.045  0.00  0.00    -0.339 N 
ATOM     10  C   LIG    1        3.429   1.218  -1.076  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.855  -0.862  -0.977  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.556  -1.167  -2.088  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.822  -1.733  -1.988  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -4.442  -2.018  -0.786  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -5.628  -2.539  -1.015  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -5.805  -2.603  -2.377  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -3.736  -1.729   0.422  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -4.318  -2.022   1.781  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.723  -2.121  -2.956  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.482  -2.002  -4.411  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -2.500  -1.181   0.309  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   6  22
ATOM     22  C   LIG    1       -0.547   1.403   0.882  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.701   1.433   2.279  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -1.314   2.519   2.909  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.776   3.589   2.149  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -2.527   4.928   2.925  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.630   3.584   0.764  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.017   2.498   0.134  0.00  0.00    +0.007 A 
ENDBRANCH   6  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.032   1.331   1.411  0.00  0.00    +0.217 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.096   0.081   2.272  0.00  0.00    +0.235 C 
ATOM     31  N   LIG    1        4.304  -0.595   2.402  0.00  0.00    -0.306 N 
ATOM     32  C   LIG    1        5.568  -0.157   1.830  0.00  0.00    +0.131 C 
ATOM     33  C   LIG    1        4.388  -1.705   3.339  0.00  0.00    +0.131 C 
ATOM     34  O   LIG    1        2.069  -0.314   2.837  0.00  0.00    -0.274 OA
ENDBRANCH  29  30
ENDBRANCH   9  29
TORSDOF 4