REMARK  Name = BDB028742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -0.240  -1.338  0.00  0.00    +0.091 C 
ATOM      2  N   LIG    1       -1.220  -0.151   0.055  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -0.232  -0.002   1.154  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1        0.953  -0.996   0.988  0.00  0.00    +0.135 C 
ATOM      5  N   LIG    1        1.495  -1.084  -0.378  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        2.785  -1.517  -0.667  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        3.125  -1.851  -1.806  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        0.477  -1.248  -1.424  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.437  -0.796   0.283  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -2.606  -1.816   1.231  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.849  -2.430   1.428  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.949  -2.029   0.678  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.475  -2.783   0.920  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.816  -1.019  -0.266  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.570  -0.412  -0.456  0.00  0.00    +0.024 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.126   1.477   1.326  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1       -0.906   2.376   1.665  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.651   3.737   1.852  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        0.644   4.219   1.704  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        0.967   5.894   1.931  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        1.682   3.353   1.371  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.425   1.990   1.184  0.00  0.00    +0.007 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1       -0.236   1.215  -3.387  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -0.321   1.159  -1.866  0.00  0.00    +0.020 C 
ENDBRANCH   1  24
BRANCH   6  25
ATOM     25  C   LIG    1        3.782  -1.553   0.462  0.00  0.00    +0.216 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.196  -1.951   0.137  0.00  0.00    +0.314 C 
ATOM     27  O   LIG    1        6.061  -1.978   1.006  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.480  -2.282  -1.137  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        4.707  -2.224  -1.751  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6