REMARK  Name = BDB049194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.145   0.374   0.887  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.254   0.284   1.901  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        5.110   0.249  -1.161  0.00  0.00    +0.176 C 
ATOM      4  N   LIG    1        3.788   0.246  -0.560  0.00  0.00    -0.231 N 
ATOM      5  C   LIG    1        3.655   0.227   0.825  0.00  0.00    +0.287 A 
ATOM      6  O   LIG    1        4.611   0.178   1.597  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        2.255   0.259   1.336  0.00  0.00    +0.129 A 
ATOM      8 CL   LIG    1        2.038   0.176   3.054  0.00  0.00    -0.076 Cl
ATOM      9  C   LIG    1        1.196   0.326   0.518  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1        1.551   0.447  -0.918  0.00  0.00    +0.157 A 
ATOM     11  N   LIG    1        2.738   0.406  -1.428  0.00  0.00    -0.175 NA
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  C   LIG    1       -1.193  -0.340   0.247  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1       -2.517   0.143   0.318  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.550  -0.604  -0.282  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.291  -1.821  -0.910  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.992  -2.312  -0.949  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -0.954  -1.583  -0.368  0.00  0.00    +0.023 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -2.865   1.473   0.950  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.925   1.346   1.949  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1       -3.614   0.711   2.682  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -4.073   2.250   2.392  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  12
TORSDOF 4