REMARK  Name = BDB026778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.776  -0.574  -0.359  0.00  0.00    -0.274 N 
ATOM      2  C   LIG    1        0.059   0.165   0.702  0.00  0.00    +0.141 C 
ATOM      3  C   LIG    1       -1.401  -0.331   0.948  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1       -1.369  -1.746   1.200  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1       -0.807  -2.482   0.116  0.00  0.00    +0.215 C 
ATOM      6  C   LIG    1        0.549  -1.961  -0.435  0.00  0.00    +0.247 C 
ATOM      7  O   LIG    1        1.355  -2.721  -0.970  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.141   1.687   0.645  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.098   2.416  -0.532  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.026   3.812  -0.538  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.281   4.497   0.633  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.373   6.213   0.624  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.518   3.797   1.812  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.446   2.401   1.819  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.518   0.018  -0.026  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.796   0.300   0.493  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.861   0.613  -0.353  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.406   0.970   0.315  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.681   0.640  -1.732  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.430   0.344  -2.266  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.360   0.032  -1.421  0.00  0.00    +0.006 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.118  -0.090  -0.790  0.00  0.00    +0.180 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.353  -0.319  -2.240  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1        2.528  -0.438  -3.382  0.00  0.00    -0.195 NA
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.265  -0.646   0.081  0.00  0.00    +0.037 C 
BRANCH  25  27
ATOM     26  C   LIG    1        4.570   1.526   0.435  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.602   0.092  -0.074  0.00  0.00    -0.001 C 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1       -0.668  -3.938   0.581  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.934  -4.719   0.333  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1       -2.874  -4.356  -0.354  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -1.917  -5.931   0.939  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -1.099  -6.118   1.438  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9