REMARK  Name = BDB059123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.718   0.930   1.499  0.00  0.00    +0.270 C 
ATOM      2  C   LIG    1        0.746   2.390   1.053  0.00  0.00    +0.196 C 
ATOM      3  C   LIG    1       -0.310   2.436  -0.042  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.312   1.376   0.425  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.529   0.345   1.073  0.00  0.00    -0.344 OA
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1        3.717  -0.823   1.069  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        3.258  -0.990  -0.252  0.00  0.00    +0.094 A 
ATOM      8  C   LIG    1        2.042  -0.325  -0.274  0.00  0.00    +0.167 A 
ATOM      9  N   LIG    1        1.234  -0.182  -1.338  0.00  0.00    -0.216 NA
ATOM     10  C   LIG    1        1.735  -0.795  -2.425  0.00  0.00    +0.225 A 
ATOM     11  N   LIG    1        2.891  -1.476  -2.532  0.00  0.00    -0.220 NA
ATOM     12  N   LIG    1        1.844   0.154   0.996  0.00  0.00    -0.214 N 
ATOM     13  C   LIG    1        3.677  -1.592  -1.442  0.00  0.00    +0.131 A 
ATOM     14  N   LIG    1        2.890  -0.096   1.827  0.00  0.00    -0.158 NA
BRANCH  13  15
ATOM     15  N   LIG    1        4.860  -2.294  -1.595  0.00  0.00    -0.342 N 
ATOM     16  H   LIG    1        5.617  -2.052  -0.970  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        5.097  -2.419  -2.572  0.00  0.00    +0.144 HD
ENDBRANCH  13  15
BRANCH   6  19
ATOM     18  C   LIG    1        5.942  -1.688   2.164  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        4.925  -1.292   1.662  0.00  0.00    -0.047 C 
ENDBRANCH   6  19
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  O   LIG    1        0.323   3.270   2.120  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        1.036   3.281   2.786  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -0.857   3.747  -0.148  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -0.876   4.099   0.766  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.146   0.761  -0.720  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.174  -0.234  -0.205  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -4.378   0.201   0.373  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.311  -0.722   0.852  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.043  -2.086   0.763  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -6.191  -3.223   1.354  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -3.850  -2.535   0.201  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -2.917  -1.612  -0.279  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -2.815   1.764  -1.482  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.495   1.315  -2.014  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 8