REMARK  Name = BDB026845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.853  -0.137  -0.365  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.848   1.387  -0.376  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.140   2.066  -1.575  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        1.132   3.461  -1.628  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.824   4.200  -0.489  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.518   3.545   0.701  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.525   2.149   0.757  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.365  -0.727  -0.995  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.382  -0.419  -1.966  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.637  -0.339  -0.367  0.00  0.00    +0.089 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -3.016  -0.738  -2.500  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -2.845  -1.068  -1.011  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.126  -0.766  -0.241  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -4.759  -1.790   0.481  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.930  -1.536   1.200  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.476  -0.256   1.204  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.919   0.058   2.088  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.860   0.774   0.497  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.689   0.520  -0.221  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.186  -0.784   1.008  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1        0.348  -0.880   1.909  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.540  -1.317   1.234  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        3.820  -0.926   0.707  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.773  -1.800   1.243  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        6.138  -1.727   0.937  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        6.559  -0.721   0.067  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.648   0.183  -0.467  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        4.113  -2.663   2.083  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1        4.558  -3.395   2.620  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        4.286   0.094  -0.152  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        2.781  -2.371   2.102  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7