REMARK  Name = BDB049636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.332   1.254  -0.511  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.564   0.633  -0.767  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.545  -0.746  -0.750  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.640  -1.179  -0.823  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.579   1.291  -0.988  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.646  -1.624  -0.839  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -3.365  -2.987  -0.973  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -4.421  -3.908  -1.058  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1       -5.753  -3.508  -1.017  0.00  0.00    +0.071 A 
ATOM     10 CL   LIG    1       -7.083  -4.594  -1.169  0.00  0.00    -0.081 Cl
ATOM     11  C   LIG    1       -6.028  -2.149  -0.870  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.983  -1.217  -0.777  0.00  0.00    +0.025 A 
BRANCH   8  13
ATOM     13  N   LIG    1       -4.077  -5.303  -1.193  0.00  0.00    +0.058 N 
ATOM     14  O   LIG    1       -4.340  -6.047  -0.240  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -3.492  -5.634  -2.232  0.00  0.00    -0.126 OA
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1        2.276  -0.753   0.183  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1        2.330   0.616   0.686  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        0.933   1.260   0.710  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -0.065   0.536  -0.212  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        0.656   0.129  -1.502  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        1.819  -0.830  -1.206  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1        3.445  -1.583   0.528  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        2.950  -3.026   0.732  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.643  -1.603  -0.451  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.005   0.300   0.565  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.364  -0.275  -0.688  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1       -1.296   2.712  -0.696  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.389   3.511   0.588  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.596   4.659   0.753  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.681   5.425   1.918  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.570   5.062   2.927  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.380   3.940   2.768  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.295   3.174   1.604  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8