REMARK  Name = BDB048867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.916   0.682   0.043  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        1.558   1.802  -0.884  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.046   1.925  -0.687  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.230   1.357   0.717  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.938   0.440   0.928  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        6.377   1.823  -2.100  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        6.529   0.481  -1.441  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        5.448  -0.105  -0.758  0.00  0.00    +0.081 A 
ATOM      9  C   LIG    1        5.633  -1.356  -0.157  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        4.485  -1.948   0.548  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        3.341  -1.194   0.559  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        2.553  -1.615   1.026  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        3.238   0.026  -0.051  0.00  0.00    +0.137 A 
ATOM     14  O   LIG    1        4.543  -3.047   1.087  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        6.856  -2.029  -0.221  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.922  -1.443  -0.898  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        4.216   0.573  -0.696  0.00  0.00    -0.229 NA
ATOM     18  C   LIG    1        7.760  -0.196  -1.504  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   4  19
ATOM     19  N   LIG    1       -1.526   0.724   0.960  0.00  0.00    -0.293 NA
ATOM     20  C   LIG    1       -2.632   1.706   0.885  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -4.009   1.095   1.242  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1       -4.290  -0.091   0.398  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -3.196  -1.083   0.457  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -1.847  -0.424   0.083  0.00  0.00    +0.104 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.611  -0.556   0.499  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -5.949  -1.844   0.942  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -7.282  -2.266   1.016  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -8.305  -1.405   0.635  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -9.942  -1.923   0.724  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -8.004  -0.129   0.178  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -6.669   0.285   0.109  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3