REMARK  Name = BDB023210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.530   1.213   2.277  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.081   0.805   3.088  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.921   1.215   1.018  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.550   1.439  -0.006  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.488   0.880   1.060  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.130   0.678  -0.138  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.428   0.378   0.131  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.645   0.380   1.499  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.938   0.094   1.951  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.954  -0.186   1.031  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.704  -0.194  -0.350  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.215   0.086   3.262  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.412   0.105  -0.819  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.397   0.706   2.092  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.747  -0.465  -1.263  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.941  -1.226  -1.022  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.121  -1.265  -2.543  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.621  -0.960  -2.606  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.127   1.570   2.537  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1       -3.329   2.950   2.154  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.422   1.137   3.887  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.680   0.340  -0.348  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -4.937   1.124   0.545  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -4.037   0.523   1.440  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -3.883  -0.865   1.456  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1       -2.801  -1.708   2.504  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -4.631  -1.645   0.565  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -5.524  -1.049  -0.332  0.00  0.00    +0.013 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -7.220   0.236  -2.420  0.00  0.00    +0.091 C 
ATOM     30  C   LIG    1       -6.628   1.020  -1.279  0.00  0.00    +0.160 C 
ATOM     31  O   LIG    1       -6.920   2.199  -1.095  0.00  0.00    -0.292 OA
ENDBRANCH  22  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5