REMARK  Name = BDB000905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.143  -0.951  -1.247  0.00  0.00    +0.166 A 
ATOM      2  S   LIG    1        0.389  -1.367  -1.863  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        0.999  -1.413  -0.258  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.020  -1.109   0.626  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -1.250  -0.841   0.055  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1       -4.157  -0.316  -2.925  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1       -3.418  -0.436  -1.950  0.00  0.00    +0.310 C 
ATOM      8  N   LIG    1       -2.114  -0.772  -2.186  0.00  0.00    -0.248 N 
ATOM      9  H   LIG    1       -1.867  -0.895  -3.156  0.00  0.00    +0.158 HD
ATOM     10  N   LIG    1       -3.782  -0.263  -0.641  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -3.030  -0.403   0.031  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.041   0.080  -0.116  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -6.178   0.306  -0.893  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -7.407   0.645  -0.296  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -7.478   0.764   1.099  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -6.348   0.540   1.881  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.137   0.199   1.276  0.00  0.00    +0.023 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -8.616   0.898  -1.161  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -8.540   2.082  -1.829  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -9.783   0.947  -0.455  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -8.802  -0.060  -2.111  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        2.429  -1.746   0.026  0.00  0.00    +0.062 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.303  -0.488   0.100  0.00  0.00    +0.108 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.680  -0.861   0.402  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        5.080  -1.581  -0.194  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.570   0.207   0.552  0.00  0.00    +0.136 A 
ATOM     27  C   LIG    1        6.950   0.064   0.341  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.786   1.161   0.519  0.00  0.00    +0.083 A 
ATOM     29  C   LIG    1        9.153   0.845   0.264  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        9.330  -0.470  -0.100  0.00  0.00    +0.048 A 
ATOM     31  N   LIG    1        7.327   2.379   0.893  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        6.005   2.425   1.076  0.00  0.00    +0.223 A 
ATOM     33  S   LIG    1        7.852  -1.326  -0.135  0.00  0.00    -0.092 S 
ATOM     34  N   LIG    1        5.122   1.426   0.925  0.00  0.00    -0.220 NA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7