REMARK  Name = BDB030108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.162   0.411  -0.014  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.339   0.122  -0.980  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.126   0.413   0.490  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.342   0.390   1.701  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.254   0.431  -0.479  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.059   0.428  -1.859  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -0.816   0.398  -2.368  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.152   0.451  -2.723  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -2.913   0.450  -4.429  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.450   0.475  -2.215  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.673   0.474  -0.830  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.564   0.453   0.030  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.039   0.498  -0.331  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -7.135   0.584  -1.162  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -8.183   0.576  -0.369  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.812   0.488   0.939  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -8.707   0.455   2.067  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.446   0.437   0.986  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        1.265   0.030   0.990  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        0.875   0.036   1.947  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.943  -1.518   0.707  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        1.459  -2.394   1.751  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        1.756  -1.822  -0.698  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1        5.805  -0.458   0.119  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        4.441  -0.701  -0.072  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        3.661  -1.192   0.982  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1        4.229  -1.465   2.226  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        5.586  -1.222   2.418  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.368  -0.719   1.371  0.00  0.00    +0.023 A 
BRANCH  24  32
ATOM     30  C   LIG    1        8.296   0.846  -2.398  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        7.877   0.350  -1.036  0.00  0.00    +0.214 C 
ATOM     32  N   LIG    1        6.530   0.040  -0.985  0.00  0.00    -0.286 N 
ATOM     33  H   LIG    1        6.003   0.174  -1.839  0.00  0.00    +0.155 HD
ATOM     34  O   LIG    1        8.696   0.239  -0.131  0.00  0.00    -0.276 OA
ENDBRANCH  24  32
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6