REMARK  Name = BDB009646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.931  -0.261  -2.263  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        2.377  -0.662  -0.871  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        2.109   0.663  -0.139  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        3.025   1.238   0.449  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.859   1.213  -0.371  0.00  0.00    -0.246 N 
ATOM      6  C   LIG    1       -0.354   0.374  -0.241  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -0.054  -1.153  -0.188  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        1.114  -1.518  -1.108  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.173   0.741   1.008  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.557   0.959   0.895  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.321   1.273   2.021  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.709   1.370   3.268  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.653   1.755   4.655  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.340   1.156   3.400  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.574   0.841   2.276  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -1.279  -2.012  -0.497  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.911  -1.985  -1.751  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.037  -2.774  -1.991  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.798  -2.724  -3.534  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.552  -3.598  -0.994  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.936  -3.632   0.256  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.809  -2.846   0.502  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        0.665   2.618  -0.572  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -0.598   3.042  -0.837  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1       -0.777   4.367  -1.055  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        0.267   5.267  -1.050  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        1.536   4.881  -0.828  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        1.708   3.549  -0.589  0.00  0.00    +0.154 A 
ENDBRANCH   5  23
BRANCH   2  29
ATOM     29  C   LIG    1        3.502  -1.452  -0.156  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.273  -1.712   1.310  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        2.281  -1.455   1.968  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.331  -2.324   1.877  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        4.087  -2.412   2.822  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6