REMARK  Name = BDB037255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.654  -0.743  -0.729  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -0.897  -0.347  -2.010  0.00  0.00    -0.221 N 
ATOM      3  H   LIG    1       -0.209  -0.308  -2.739  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -1.514  -0.953   0.121  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        2.414  -2.014   1.077  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.449  -1.343   0.402  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        3.131  -0.454  -0.641  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.807  -0.244  -1.023  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.780  -0.932  -0.371  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        1.088  -1.806   0.683  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1        1.777  -3.474   2.855  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        2.803  -2.840   2.098  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.899  -1.521   0.796  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.369  -0.396   1.593  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.100   0.585   1.017  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.367   1.414   2.029  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        5.818   0.972   3.247  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.185  -0.208   2.936  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.457  -0.192  -2.592  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.959  -1.548  -2.530  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -2.201   0.561  -3.910  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -3.080   0.646  -4.424  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -3.428   0.882  -1.574  0.00  0.00    +0.149 A 
ATOM     24  C   LIG    1       -4.809   0.667  -1.444  0.00  0.00    +0.160 A 
ATOM     25  C   LIG    1       -5.574   1.546  -0.661  0.00  0.00    +0.084 A 
ATOM     26 CL   LIG    1       -7.293   1.411  -0.539  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -4.961   2.595   0.026  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -3.590   2.805  -0.103  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -2.825   1.976  -0.931  0.00  0.00    +0.142 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.428  -0.318  -2.172  0.00  0.00    -0.492 OA
ATOM     31  C   LIG    1       -5.694  -1.470  -1.362  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  29  32
ATOM     32  O   LIG    1       -1.484   2.208  -1.085  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -1.177   3.545  -1.483  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 8