REMARK  Name = BDB027505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.518  -2.440  -1.470  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.357  -1.856  -1.969  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.060  -0.414  -1.998  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.397  -0.136  -1.571  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -2.392  -0.932  -2.445  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -1.722  -1.987  -3.329  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.623  -2.741  -2.590  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        1.778  -3.635  -1.600  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.442  -0.110   0.615  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.758  -0.751  -0.592  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.798  -1.504  -1.274  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.506  -1.607  -0.756  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.186  -0.995   0.458  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.151  -0.239   1.134  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.409   1.307   2.432  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        5.469   0.632   1.234  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.363   0.625   0.762  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        4.474   1.351   3.221  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        7.517   2.585   1.938  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        6.675   2.002   2.801  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -1.533  -0.502  -0.162  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.389  -1.483   0.054  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.656  -0.074   0.515  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.273   1.062   0.158  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.352   1.439   0.854  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.853   0.689   1.921  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.991   1.106   2.639  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -6.632   2.287   2.280  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -6.148   3.046   1.221  0.00  0.00    +0.022 A 
ATOM     30 CL   LIG    1       -8.022   2.807   3.146  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -4.148  -0.468   2.199  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -5.015   2.615   0.520  0.00  0.00    +0.030 A 
ATOM     33  N   LIG    1       -3.061  -0.866   1.513  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5