REMARK  Name = BDB026736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.012   0.199  -1.015  0.00  0.00    +0.205 C 
ATOM      2  C   LIG    1        1.512   1.623  -0.637  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        2.087   2.623  -1.068  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.430   1.698   0.231  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.332   0.493   0.611  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1        0.604  -0.753   0.639  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        1.226  -0.928  -0.641  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.587   0.297  -0.239  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.810   0.013   0.396  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.974  -0.192  -0.348  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.930  -0.117  -1.736  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.363  -0.367  -2.654  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.730   0.159  -2.386  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.565   0.361  -1.642  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.082  -2.036   1.075  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -0.280  -2.290   2.443  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.936  -3.450   2.858  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.174  -3.738   4.538  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -1.404  -4.372   1.925  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.214  -4.132   0.566  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.559  -2.973   0.144  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.451   0.019  -0.507  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.073  -1.292  -0.989  0.00  0.00    +0.123 C 
BRANCH  23  25
ATOM     24  O   LIG    1        6.029  -0.801   0.389  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        5.486  -1.440  -0.495  0.00  0.00    +0.305 C 
BRANCH  25  26
ATOM     26  O   LIG    1        6.144  -2.425  -1.135  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        7.032  -2.428  -0.720  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  28
ATOM     28  C   LIG    1       -0.035   3.007   0.678  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.019   3.607  -0.279  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -2.502   3.586  -0.002  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -1.742   4.877   0.100  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 8