REMARK  Name = BDB030110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.028  -0.777  -1.014  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.914  -1.079  -1.263  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.383  -1.087   0.287  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.334  -1.810   0.972  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.643  -0.547   0.829  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.642   0.023   2.098  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.503   0.111   2.804  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        2.826   0.534   2.624  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        2.848   1.252   4.191  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.014   0.472   1.888  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.029  -0.108   0.612  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.832  -0.624   0.093  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.241  -0.191  -0.189  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.282  -0.810  -1.420  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        6.520  -0.686  -1.840  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.283  -0.011  -0.934  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.680   0.311  -1.068  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.485   0.313   0.129  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.537   0.475  -1.682  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        0.731   0.425  -2.687  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.096   1.995  -1.235  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        0.010   2.838  -2.406  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        0.488   2.370   0.034  0.00  0.00    -0.152 OA
BRANCH  21  27
ATOM     24  C   LIG    1       -4.511   1.029  -0.561  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -4.041   1.346  -1.841  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -2.696   1.654  -2.056  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -1.815   1.636  -0.975  0.00  0.00    +0.107 A 
ATOM     28  C   LIG    1       -2.275   1.349   0.313  0.00  0.00    +0.032 A 
ATOM     29  C   LIG    1       -3.624   1.039   0.515  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.843   0.730  -0.512  0.00  0.00    -0.490 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -6.427   0.346   0.738  0.00  0.00    +0.257 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -6.201  -1.136   1.042  0.00  0.00    +0.200 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -6.774  -3.322   0.363  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -6.993  -1.934   0.155  0.00  0.00    -0.380 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  21  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9