REMARK  Name = BDB023048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.657  -0.891   0.943  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.680  -1.864  -0.244  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.486  -2.777   0.081  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.496  -1.801   0.686  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.710  -0.828   1.414  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  16
ATOM      6  C   LIG    1       -5.261  -0.474  -1.871  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1       -4.257   0.478  -1.271  0.00  0.00    +0.108 A 
ATOM      8  N   LIG    1       -3.181  -0.083  -0.600  0.00  0.00    -0.329 N 
ATOM      9  H   LIG    1       -3.088  -1.102  -0.579  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -2.268   0.757  -0.081  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1       -2.400   2.117  -0.194  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -1.284   2.687   0.464  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -0.521   1.642   0.955  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -3.550   2.659  -0.895  0.00  0.00    +0.203 A 
ATOM     15  N   LIG    1       -3.667   3.949  -0.992  0.00  0.00    -0.066 NA
ATOM     16  N   LIG    1       -1.123   0.451   0.598  0.00  0.00    -0.305 N 
ATOM     17  N   LIG    1       -4.460   1.756  -1.427  0.00  0.00    -0.212 NA
BRANCH  15  18
ATOM     18  O   LIG    1       -4.827   4.312  -1.698  0.00  0.00    -0.408 OA
ATOM     19  H   LIG    1       -4.788   5.284  -1.677  0.00  0.00    +0.328 HD
ENDBRANCH  15  18
ENDBRANCH   1  16
BRANCH   2  20
ATOM     20  O   LIG    1       -1.913  -2.589  -0.342  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -1.791  -3.365   0.251  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        0.017  -3.725   1.060  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        0.782  -4.274   1.317  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.352  -1.081  -0.384  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.461  -0.240   0.222  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        4.590  -0.840   0.804  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        5.603  -0.057   1.364  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.493   1.331   1.348  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        6.740   2.295   2.037  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        4.380   1.943   0.776  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.368   1.160   0.215  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        2.928  -2.040  -1.274  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        3.660  -1.594  -1.738  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7