REMARK  Name = BDB049620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.545   0.343   0.838  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.138  -1.502   0.113  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -3.779  -1.201  -0.018  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.027  -1.726  -1.059  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.703  -1.258  -0.908  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.663  -0.439   0.210  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -3.549  -2.535  -2.011  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.870  -2.778  -1.896  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -2.938  -0.413   0.734  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -3.242   0.131   1.536  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -5.695  -2.302  -0.887  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1       -5.575   0.096   1.805  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.906  -0.934   1.240  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.967  -1.675   1.617  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.995  -2.578   1.252  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.618   1.815   0.469  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.189   2.776   1.321  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -1.845   2.360   2.865  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -1.254   4.120   0.939  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.760   4.526  -0.300  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.204   3.588  -1.163  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.139   2.246  -0.785  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1        0.672  -0.242   0.351  0.00  0.00    -0.366 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.760  -0.081   1.259  0.00  0.00    +0.164 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.031  -0.659   0.622  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.199  -0.622   1.625  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1        5.583  -0.679   0.971  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1        5.541  -1.302  -0.410  0.00  0.00    +0.249 C 
ATOM     29  F   LIG    1        6.792  -1.356  -0.929  0.00  0.00    -0.206 F 
ATOM     30  F   LIG    1        5.119  -2.589  -0.298  0.00  0.00    -0.206 F 
ATOM     31  C   LIG    1        4.627  -0.549  -1.365  0.00  0.00    +0.076 C 
ATOM     32  C   LIG    1        3.401   0.063  -0.680  0.00  0.00    +0.011 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7