REMARK  Name = BDB029777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.898   0.082  -0.630  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        2.724  -0.367  -0.001  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.508  -0.449  -0.698  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.473  -0.075  -2.040  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.325  -0.136  -2.733  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        2.632   0.371  -2.676  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        2.591   0.829  -4.337  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        3.839   0.450  -1.980  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        8.562   0.927   0.861  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        7.183   0.518   0.788  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        6.337   0.694  -0.272  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        5.136   0.147   0.133  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        5.250  -0.349   1.412  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        6.489  -0.113   1.777  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        0.304  -0.931   0.031  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -0.875  -1.060  -0.682  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -1.006  -0.581  -1.577  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1        0.358  -1.197   1.230  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.147  -1.214   0.162  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.890  -1.336   1.156  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.222   0.110   0.018  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.017   0.937   1.186  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.070   0.629  -1.325  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.788  -0.741   0.158  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.935   0.240   0.003  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -7.349  -0.349   0.251  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.729   1.010   0.872  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -6.232   1.202   1.186  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 6