REMARK  Name = BDB026883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.548  -1.200   0.189  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.488  -2.362  -0.104  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.935  -2.617  -1.411  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.792  -3.686  -1.674  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.207  -4.519  -0.638  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.760  -4.288   0.662  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.901  -3.220   0.928  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.840   0.630  -1.405  0.00  0.00    -0.288 OA
ATOM      9  C   LIG    1       -1.159   0.150  -0.314  0.00  0.00    +0.202 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.120   0.809   0.559  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -2.737   2.031   0.323  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -3.565   2.280   1.420  0.00  0.00    +0.138 A 
ATOM     13  C   LIG    1       -4.314   3.491   1.423  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -4.208   4.349   0.391  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.340   4.066  -0.738  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1       -3.509   1.309   2.303  0.00  0.00    -0.235 NA
ATOM     17  C   LIG    1       -2.630   2.925  -0.747  0.00  0.00    +0.093 A 
ATOM     18  C   LIG    1       -2.635   0.400   1.778  0.00  0.00    +0.142 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  N   LIG    1        0.775  -1.473  -0.428  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1        1.035  -2.437  -0.222  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.816  -0.566   0.063  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.148  -0.857  -0.642  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.246   0.058  -0.155  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        5.098  -0.341   0.885  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.100   0.516   1.345  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        6.251   1.776   0.771  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.485   2.832   1.340  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.409   2.188  -0.260  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.407   1.331  -0.720  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7