REMARK  Name = BDB023059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.651  -1.755  -0.091  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.078  -1.266  -1.343  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.520  -1.290  -0.867  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.426  -0.933   0.621  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.073  -1.251   1.048  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.950   1.295   0.365  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1       -4.661   1.145   0.329  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1       -3.928  -0.116   0.170  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -4.282  -1.481   0.019  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.112  -2.212  -0.087  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -2.044  -1.342  -0.005  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.549  -0.085   0.150  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -1.870   1.067   0.269  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -0.851   1.132   0.280  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -2.612   2.210   0.422  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -3.903   2.305   0.455  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1       -8.054   0.407   0.288  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1       -6.667   0.100   0.233  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.094  -2.100  -2.490  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.157  -3.005  -2.224  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        2.020  -2.634  -1.008  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        2.336  -2.713  -1.929  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        1.694   0.550   0.958  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.161   0.925   0.875  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.728   1.468  -0.291  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.093   1.798  -0.359  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1        5.654   2.377  -1.628  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        5.896   1.571   0.768  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1        7.582   1.945   0.768  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        5.347   1.028   1.931  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.990   0.705   1.984  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        0.891   1.417   0.142  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.245   2.318   0.281  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7