REMARK  Name = BDB026844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340   1.935   0.379  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.090   3.262   0.353  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.369   3.914  -0.860  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.059   5.127  -0.875  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.478   5.706   0.320  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        2.208   5.072   1.532  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.519   3.858   1.550  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.979   2.073  -0.305  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -1.408   2.926   0.055  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.884   0.944  -0.041  0.00  0.00    +0.089 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -2.275   0.335  -2.493  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -1.848  -0.174  -1.111  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.685  -1.363  -0.656  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -2.043  -2.549  -0.260  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.784  -3.649   0.178  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.173  -3.572   0.227  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -5.086  -4.925   0.769  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -4.827  -2.405  -0.159  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.086  -1.304  -0.597  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.200   0.804  -0.248  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1        1.454   0.780  -1.456  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1        1.671  -0.281   0.627  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.113  -1.585   0.213  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        2.444  -2.307   1.361  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        2.896  -3.631   1.324  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        3.013  -4.242   0.073  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.692  -3.553  -1.093  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        2.240  -1.474   2.434  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1        2.413  -1.731   3.396  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1        2.243  -2.229  -1.036  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        1.772  -0.257   2.009  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7