REMARK  Name = BDB030025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.722   1.355   0.249  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.560   2.328  -0.276  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.288   2.820  -1.129  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.096   0.525   1.075  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.923   0.340  -0.069  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.580   0.412   0.341  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.689   1.336  -0.230  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.156   2.193  -1.226  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.328   3.083  -1.798  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.486   2.132  -1.641  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.063   3.195  -2.869  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.368   1.214  -1.069  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        6.820  -2.485   1.167  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.518  -1.873   1.098  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.130  -0.878   0.244  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        3.807  -0.634   0.554  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        3.401  -1.463   1.576  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        4.449  -2.194   1.880  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -3.050   2.112  -0.091  0.00  0.00    -0.105 NA
ATOM     20  H   LIG    1       -3.579   2.940   0.200  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.852   1.333  -1.384  0.00  0.00    +0.107 S 
ATOM     22  O   LIG    1       -4.436   2.388  -2.186  0.00  0.00    -0.149 OA
ATOM     23  O   LIG    1       -2.951   0.359  -1.967  0.00  0.00    -0.149 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.192   0.424  -0.651  0.00  0.00    +0.270 A 
ATOM     25  N   LIG    1       -5.082  -0.831  -0.095  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1       -3.890  -1.640  -0.002  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1       -6.312  -1.189   0.388  0.00  0.00    +0.108 A 
ATOM     28  C   LIG    1       -7.127  -0.116   0.126  0.00  0.00    +0.132 A 
ATOM     29  N   LIG    1       -6.429   0.881  -0.498  0.00  0.00    -0.219 NA
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5