REMARK  Name = BDB006859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.217  -0.919   0.918  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.438  -0.414   0.483  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.613  -1.164   0.278  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        3.663  -0.327  -0.113  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        4.928  -0.841  -0.380  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        5.129  -2.216  -0.253  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.074  -3.049   0.141  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1        4.352  -4.743   0.291  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.230   1.119  -0.155  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1        3.921   1.926   0.951  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        3.485   1.758  -1.523  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.807  -2.530   0.412  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        1.711   0.989   0.125  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1        0.036  -2.098   1.232  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -0.923   0.121   1.020  0.00  0.00    +0.181 C 
BRANCH  15  22
ATOM     16  C   LIG    1       -4.354   2.659   0.886  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -4.044   1.233   0.437  0.00  0.00    +0.065 C 
ATOM     18  N   LIG    1       -3.314   1.266  -0.837  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -3.850   1.778  -1.538  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -3.071  -0.107  -1.311  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.644  -1.126  -0.211  0.00  0.00    +0.096 C 
ATOM     22  N   LIG    1       -2.259  -0.523   1.101  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1       -3.277   0.457   1.550  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.752  -2.180   0.028  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.336  -3.123   1.016  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -2.647  -2.662   1.542  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 4