REMARK  Name = BDB023034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.020  -2.039   0.580  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        1.119  -2.256  -0.465  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        2.317  -2.597   0.402  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.092  -1.761   1.663  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.670  -1.487   1.747  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -4.474   2.019   0.033  0.00  0.00    -0.165 NA
ATOM      7  C   LIG    1       -3.525   1.395   0.670  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1       -2.665   0.343   0.112  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1       -2.586  -0.188  -1.159  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.627  -1.095  -1.086  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1       -1.046  -1.145   0.163  0.00  0.00    -0.287 N 
ATOM     12  C   LIG    1       -1.726  -0.242   0.918  0.00  0.00    +0.145 A 
ATOM     13  N   LIG    1       -1.561   0.104   2.203  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1       -0.813  -0.277   2.782  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -2.361   1.125   2.661  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -3.276   1.762   1.996  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1       -5.271   2.680  -2.123  0.00  0.00    +0.148 C 
ATOM     18  N   LIG    1       -4.767   1.642  -1.243  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1       -4.021   1.099  -1.699  0.00  0.00    +0.168 HD
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.831  -3.310  -1.384  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        0.807  -4.137  -0.862  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        2.242  -3.998   0.728  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        2.820  -4.470   0.099  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.927  -0.454   1.722  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.727   0.512   0.570  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        3.674   0.585  -0.465  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.481   1.449  -1.546  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        2.342   2.250  -1.601  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        2.106   3.307  -2.937  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        1.398   2.200  -0.580  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        1.595   1.340   0.503  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        2.674   0.216   2.963  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        2.969   1.139   2.865  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7