REMARK  Name = BDB026893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.056  -0.670  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.601  -1.386  -0.944  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.728  -1.826  -2.274  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.347  -3.041  -2.571  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.840  -3.840  -1.543  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.704  -3.430  -0.219  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.082  -2.216   0.081  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.607   0.802   1.538  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.266   0.619   0.681  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.643   1.071   0.956  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.811   1.204   0.121  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.849   1.680   0.932  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.145   1.927   0.462  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.407   1.689  -0.887  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.407   1.225  -1.730  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.342   1.842   2.198  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -3.872   2.183   2.989  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -3.115   0.985  -1.243  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.026   1.490   2.223  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.573  -0.129  -0.874  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.953   0.760  -0.534  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.228  -1.212  -0.123  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.763  -1.110  -0.206  0.00  0.00    +0.052 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.346   0.155   0.373  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        5.154   0.985  -0.402  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        5.714   2.132   0.040  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        5.455   2.467   1.319  0.00  0.00    +0.129 A 
ATOM     28 CL   LIG    1        6.181   3.932   1.838  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        4.674   1.719   2.181  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        4.114   0.540   1.697  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7