REMARK  Name = BDB040598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.006   0.696  -1.377  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.987   0.878   0.008  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.032  -0.218   0.878  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -1.953   0.160   2.568  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.114  -1.541   0.394  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.106  -1.709  -1.010  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.151  -3.263  -1.774  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -2.052  -0.609  -1.875  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.213  -2.719   1.359  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -3.425  -3.612   1.092  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.522  -3.171   0.752  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -3.263  -4.950   1.343  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -4.090  -5.516   1.208  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -2.270  -5.533   2.089  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -2.406  -6.670   2.536  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -1.070  -4.674   2.416  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -0.915  -3.532   1.425  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.928   1.877  -2.310  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        0.452   2.017  -2.927  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -0.635   2.511  -2.230  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.405   2.985  -1.356  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.334   1.160  -3.798  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        1.815   2.632  -2.525  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        2.905   2.042  -3.448  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        1.782   4.156  -2.780  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        2.416   1.862   1.621  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1        3.266   1.266   0.752  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        3.066   1.526  -0.564  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        2.062   2.365  -1.037  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        1.206   2.965  -0.151  0.00  0.00    -0.256 NA
ATOM     31  C   LIG    1        1.405   2.700   1.164  0.00  0.00    +0.134 A 
BRANCH  26  33
ATOM     32  C   LIG    1        2.199   0.146   3.426  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        2.603   1.573   3.084  0.00  0.00    +0.053 C 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6