REMARK  Name = BDB041484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.167  -0.049   1.635  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.833  -1.178   2.115  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.375  -2.053   2.331  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.741   0.961   1.258  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.438   1.074   1.507  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -4.130  -0.150   1.491  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.405  -1.354   1.506  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.011  -1.351   1.553  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.320  -0.136   1.583  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.040   1.071   1.554  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -3.548   3.460   1.547  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.212   2.204   1.466  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.644  -0.214   1.421  0.00  0.00    +0.094 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.165  -0.506   0.032  0.00  0.00    +0.046 A 
ATOM     15  N   LIG    1       -6.527  -1.787  -0.239  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1       -6.987  -2.052  -1.482  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -7.100  -1.102  -2.482  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.718   0.202  -2.193  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -6.243   0.508  -0.921  0.00  0.00    +0.023 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1        2.497  -1.337   2.159  0.00  0.00    +0.096 S 
ATOM     21  O   LIG    1        2.987  -0.353   3.104  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1        2.728  -2.752   2.394  0.00  0.00    -0.148 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.073  -0.965   0.507  0.00  0.00    +0.239 A 
ATOM     24  C   LIG    1        2.438  -1.479  -0.617  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1        2.994  -1.117  -1.841  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1        4.125  -0.289  -1.890  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        4.705   0.173  -0.710  0.00  0.00    +0.049 A 
ATOM     28  N   LIG    1        4.186  -0.173   0.489  0.00  0.00    -0.228 NA
BRANCH  27  29
ATOM     29  C   LIG    1        5.939   1.079  -0.672  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        7.061   0.360   0.103  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.574   2.385   0.062  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        6.491   1.457  -2.062  0.00  0.00    +0.017 C 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1        1.347  -2.284  -0.461  0.00  0.00    -0.492 OA
ATOM     34  C   LIG    1        0.736  -2.799  -1.638  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 8