REMARK  Name = BDB026882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.106   1.573   0.827  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.976   2.611   1.124  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.341   2.840   2.464  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.334   3.767   2.789  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.980   4.478   1.781  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.634   4.263   0.450  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.640   3.338   0.122  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.137  -0.518   1.998  0.00  0.00    -0.288 OA
ATOM      9  C   LIG    1       -0.403   0.135   1.097  0.00  0.00    +0.202 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.488  -0.411   0.298  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -2.258  -1.518   0.621  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -3.163  -1.698  -0.427  0.00  0.00    +0.138 A 
ATOM     13  C   LIG    1       -4.080  -2.783  -0.330  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -4.055  -3.588   0.749  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.107  -3.376   1.828  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1       -3.006  -0.795  -1.367  0.00  0.00    -0.235 NA
ATOM     17  C   LIG    1       -2.238  -2.354   1.742  0.00  0.00    +0.093 A 
ATOM     18  C   LIG    1       -1.979  -0.003  -0.930  0.00  0.00    +0.142 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  N   LIG    1        0.728   1.727  -0.519  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1        0.968   2.719  -0.600  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.990   0.975  -0.651  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.811  -0.399  -1.313  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.137  -1.102  -1.486  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        3.666  -1.877  -0.443  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.899  -2.514  -0.592  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.611  -2.376  -1.782  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.132  -3.159  -1.964  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.099  -1.606  -2.824  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        3.865  -0.968  -2.676  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7