REMARK  Name = BDB043863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.534  -0.187   0.759  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -3.332   0.514  -0.188  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -4.208  -0.256  -0.980  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -4.989   0.375  -1.935  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.949   1.757  -2.126  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.118   2.543  -1.341  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1       -4.339  -1.582  -0.859  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1       -3.647  -2.231   0.083  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1       -3.854  -3.596   0.216  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.193  -4.338   1.191  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1       -3.481  -6.029   1.324  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -2.311  -3.719   2.062  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.087  -2.350   1.937  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.324   1.925  -0.375  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -2.734  -1.585   0.936  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  16
ATOM     16  N   LIG    1       -1.515   0.457   1.512  0.00  0.00    -0.340 N 
ATOM     17  H   LIG    1       -1.845   1.361   1.843  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.144   0.578   0.939  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -0.013   1.824   0.062  0.00  0.00    +0.028 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.362  -0.696   0.234  0.00  0.00    +0.023 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.794  -0.639  -0.321  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.856  -0.403   0.765  0.00  0.00    +0.084 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.255  -0.369   0.305  0.00  0.00    -0.303 NA
BRANCH  23  25
ATOM     24  C   LIG    1        6.188  -1.798  -0.408  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        4.678  -1.661  -0.260  0.00  0.00    +0.081 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        4.529   0.775  -0.576  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1        5.756   1.542  -0.096  0.00  0.00    +0.020 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   6  28
ATOM     28  O   LIG    1       -4.175   3.882  -1.606  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1       -3.317   4.731  -0.854  0.00  0.00    +0.277 C 
ENDBRANCH   6  28
TORSDOF 9