REMARK  Name = BDB015837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182  -1.967  -0.106  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.207  -1.590   0.759  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1        0.972  -0.921   2.080  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.512  -1.951   0.230  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.390  -2.642  -0.962  0.00  0.00    +0.059 A 
ATOM      6  S   LIG    1        0.785  -2.759  -1.505  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.838  -1.702   0.804  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.977  -0.467   1.393  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.221   0.197   1.325  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        4.756  -2.506   0.700  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        5.225  -0.030   1.974  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.194   0.586   0.995  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        7.569   0.707   1.605  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        7.789   0.418   2.779  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        8.571   1.178   0.798  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        9.484   1.232   1.232  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        8.400   1.567  -0.503  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        9.612   2.047  -1.239  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        7.176   1.501  -1.043  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        6.030   1.018  -0.279  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        4.732   1.069  -1.036  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  24
ATOM     22  C   LIG    1       -1.470  -3.948   1.349  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -1.954  -2.688   0.693  0.00  0.00    -0.026 C 
ATOM     24  C   LIG    1       -1.238  -1.760   0.017  0.00  0.00    -0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.874  -0.514  -0.602  0.00  0.00    +0.037 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.381  -0.297  -0.402  0.00  0.00    +0.020 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.832   1.014  -1.065  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.259   1.318  -0.992  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1       -5.821   1.374   0.357  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1       -7.272   1.930   0.377  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       -8.055   1.688  -0.851  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -9.487   1.674  -0.583  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -7.603   0.466  -1.524  0.00  0.00    +0.099 C 
ATOM     34  C   LIG    1       -6.096   0.513  -1.897  0.00  0.00    +0.100 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8