REMARK  Name = BDB053926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057   1.058   0.366  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.243   0.362  -0.513  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.704  -0.210  -1.207  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.633   2.029   0.987  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.220  -1.985   0.172  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        2.950  -0.701   0.343  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        2.421   0.576   0.446  0.00  0.00    +0.097 A 
ATOM      8  S   LIG    1        3.686   1.693   0.751  0.00  0.00    -0.062 S 
ATOM      9  C   LIG    1        4.850   0.430   0.661  0.00  0.00    +0.109 A 
ATOM     10  N   LIG    1        4.332  -0.763   0.439  0.00  0.00    -0.243 NA
BRANCH   9  11
ATOM     11  C   LIG    1        6.300   0.676   0.824  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.852   1.946   1.055  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        8.233   2.106   1.198  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        8.884   3.675   1.480  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        9.090   1.013   1.115  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.563  -0.255   0.887  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.183  -0.418   0.743  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -1.124   0.817  -0.796  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -2.080   0.651   0.423  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -2.876  -0.596   0.364  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -2.193  -1.721  -0.284  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -1.940  -1.405  -1.760  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -1.666   0.081  -2.028  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.263  -0.555   0.209  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -4.944   0.514  -0.386  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.340   0.505  -0.512  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -7.091  -0.584  -0.066  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.437  -1.653   0.534  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.044  -1.630   0.671  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -6.990   1.662  -1.166  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -6.546   2.201  -2.164  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -8.097   2.076  -0.514  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -8.227   1.661   0.360  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6