REMARK  Name = BDB064256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.252  -2.946   0.284  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.207  -1.728   0.180  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        1.311  -0.901   0.200  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1        1.163   0.072  -0.041  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.108  -1.057  -0.016  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.367   0.230   0.458  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.624   0.812   0.250  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -3.671   0.140  -0.420  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -3.369  -1.160  -0.881  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -2.118  -1.755  -0.678  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.125   0.813  -0.666  0.00  0.00    +0.137 C 
ATOM     12  C   LIG    1       -5.124   2.075  -1.580  0.00  0.00    +0.201 C 
ATOM     13  O   LIG    1       -5.250   2.958  -0.435  0.00  0.00    -0.373 OA
ATOM     14  C   LIG    1       -5.632   1.836   0.396  0.00  0.00    +0.201 C 
BRANCH  11  15
ATOM     15  O   LIG    1       -6.122  -0.185  -1.031  0.00  0.00    -0.379 OA
ATOM     16  H   LIG    1       -6.189  -0.758  -0.247  0.00  0.00    +0.211 HD
ENDBRANCH  11  15
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        2.741  -1.344   0.366  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1        2.992  -2.379   1.508  0.00  0.00    +0.192 C 
ATOM     19  O   LIG    1        3.704  -3.264   0.607  0.00  0.00    -0.375 OA
ATOM     20  C   LIG    1        3.174  -2.544  -0.535  0.00  0.00    +0.192 C 
BRANCH  17  21
ATOM     21  C   LIG    1        3.703  -0.037   0.349  0.00  0.00    -0.020 A 
ATOM     22  C   LIG    1        4.241   0.481  -0.849  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        5.046   1.625  -0.871  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.328   2.293   0.314  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        6.314   3.701   0.294  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.807   1.828   1.515  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.002   0.684   1.526  0.00  0.00    +0.007 A 
ENDBRANCH  17  21
ENDBRANCH   3  17
TORSDOF 5