REMARK  Name = BDB030011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.822   0.016   1.461  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.689   1.030   1.517  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.993  -0.523   0.958  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.041  -1.685   0.560  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.194   0.352   0.903  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.164   1.693   1.281  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.022   2.252   1.714  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.320   2.470   1.210  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.285   4.128   1.682  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.520   1.918   0.759  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.575   0.574   0.372  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.404  -0.199   0.449  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.805  -0.042  -0.102  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        6.914  -1.391  -0.356  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.148  -1.578  -0.766  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.843  -0.406  -0.789  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       10.218  -0.255  -1.188  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        8.004   0.588  -0.368  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.454  -0.787   1.177  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.201  -1.701   0.763  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.547   0.018   0.134  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.369  -0.561  -1.178  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.382   1.436   0.377  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.103  -0.543   0.819  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -6.807  -0.618  -0.377  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1       -5.541  -0.975   0.411  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -4.317  -0.161  -0.043  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -4.622   1.344   0.017  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.888   1.702  -0.759  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -7.083   0.883  -0.293  0.00  0.00    +0.031 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -8.062  -2.642  -0.247  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -7.947  -1.288   0.169  0.00  0.00    -0.380 OA
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7