REMARK  Name = BDB048287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.944  -0.663   0.925  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.004  -0.765   0.047  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -0.031  -0.572  -1.313  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.092  -0.176  -2.139  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -1.252  -0.789  -1.919  0.00  0.00    +0.238 C 
ATOM      6  O   LIG    1       -1.497  -0.685  -3.115  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -2.302  -1.184  -0.936  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -3.747  -0.768  -1.182  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -3.339  -2.218  -1.300  0.00  0.00    +0.038 C 
ATOM     10  S   LIG    1       -1.579  -1.249   0.645  0.00  0.00    -0.073 S 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.919   0.452   0.127  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        3.959   1.421   0.447  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.638   1.048   0.706  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.252  -0.292   0.631  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.217  -1.263   0.355  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.539  -0.895   0.095  0.00  0.00    +0.006 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.173   0.861   1.151  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        6.351   0.850  -0.129  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  C   LIG    1       -4.661  -0.302  -0.071  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -4.456   0.931   0.565  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -5.324   1.356   1.563  0.00  0.00    +0.116 A 
ATOM     22  N   LIG    1       -6.376   0.632   1.970  0.00  0.00    -0.241 NA
ATOM     23  C   LIG    1       -6.579  -0.550   1.353  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -5.771  -1.044   0.342  0.00  0.00    +0.024 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -5.117   2.570   2.213  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -5.887   2.683   2.868  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -5.065   3.339   1.556  0.00  0.00    +0.144 HD
ENDBRANCH  21  25
ENDBRANCH   8  19
TORSDOF 4