REMARK  Name = BDB030076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.805  -0.491  -1.278  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.660  -1.482  -1.061  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.916   0.183  -0.805  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.947   1.412  -0.750  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.080  -0.623  -0.352  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.091  -2.017  -0.387  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.019  -2.692  -0.836  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.212  -2.722   0.046  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.228  -4.444   0.001  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.332  -2.040   0.521  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.345  -0.638   0.569  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.211   0.060   0.129  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.528   0.044   1.071  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.670  -0.627   1.452  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.512   0.301   1.847  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.963   1.544   1.739  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.611   2.781   2.090  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.696   1.402   1.245  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.481   0.340  -1.386  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.262   1.340  -1.245  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.685  -0.126  -0.258  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.510  -1.545  -0.027  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.624   0.839   0.816  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.156   0.149  -1.242  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -5.881   0.685  -2.441  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1       -5.580  -0.568  -1.609  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -4.439  -0.374  -0.573  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -4.889   0.522   0.596  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -6.168   0.007   1.252  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -7.294  -0.194   0.245  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -6.853  -1.082  -0.914  0.00  0.00    +0.003 C 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6