REMARK  Name = BDB030002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.840   0.279   0.974  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.688  -0.262   1.516  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.539  -1.275   1.528  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.897   1.460   0.633  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.334  -0.855   0.061  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.187  -0.069   0.248  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.015  -0.615   0.801  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.999  -1.960   1.167  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.889  -2.506   1.691  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.132  -2.751   0.989  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.114  -4.412   1.444  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.293  -2.204   0.441  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        8.741   2.089  -2.033  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.055   0.975  -1.430  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        6.754   0.955  -1.009  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.558  -0.315  -0.509  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        7.716  -1.053  -0.624  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        8.595  -0.251  -1.180  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.586   0.577   1.339  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.336   1.516   0.985  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.724  -0.134   0.276  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.589   0.559  -0.985  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.564  -1.569   0.390  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.247   0.364   1.067  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.484  -0.351   0.504  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -4.765  -0.049  -0.991  0.00  0.00    +0.059 C 
ATOM     27  N   LIG    1       -5.936  -0.831  -1.419  0.00  0.00    -0.310 NA
ATOM     28  H   LIG    1       -5.865  -1.800  -1.113  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -7.063  -0.150  -0.775  0.00  0.00    +0.054 C 
ATOM     30  C   LIG    1       -6.770   1.312  -1.104  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -7.026  -0.445   0.732  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -5.248   1.376  -1.265  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -5.708  -0.010   1.382  0.00  0.00    +0.008 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6