REMARK  Name = BDB026750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.810  -0.415  -0.063  0.00  0.00    -0.276 N 
ATOM      2  C   LIG    1       -0.169   0.433  -0.770  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.202  -0.378  -1.620  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1       -0.485  -1.198  -2.556  0.00  0.00    -0.361 OA
ATOM      5  C   LIG    1        0.416  -2.079  -1.909  0.00  0.00    +0.256 C 
ATOM      6  C   LIG    1        1.235  -1.591  -0.695  0.00  0.00    +0.243 C 
ATOM      7  O   LIG    1        2.189  -2.254  -0.290  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.858   1.513   0.058  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -1.440   1.250   1.310  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.087   2.260   2.027  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.162   3.546   1.499  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.957   4.789   2.382  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.595   3.829   0.260  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.949   2.819  -0.457  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.305  -1.192  -0.953  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -2.125  -1.930   0.228  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -3.174  -2.673   0.780  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.414  -2.700   0.151  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.702  -3.614   0.831  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.613  -1.994  -1.031  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.564  -1.251  -1.580  0.00  0.00    +0.007 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.730   0.194   0.931  0.00  0.00    +0.185 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.019  -0.771   2.094  0.00  0.00    +0.325 C 
ATOM     24  O   LIG    1        1.213  -1.548   2.590  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.247  -0.646   2.634  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1        3.269  -1.347   3.320  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  C   LIG    1        2.937   0.946   0.332  0.00  0.00    +0.034 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.165   0.963  -0.841  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        3.960   0.119  -0.447  0.00  0.00    -0.001 C 
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 7