REMARK  Name = BDB049393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.202  -0.448  -0.415  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -2.564   0.175  -1.135  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.831  -0.628  -0.387  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1       -0.189  -1.210   0.486  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.537  -0.535   0.351  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -3.183  -0.928   0.488  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.847  -1.811   1.526  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.814  -2.291   2.415  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.139  -1.901   2.282  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.498  -1.030   1.257  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -5.077   0.392  -0.695  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -6.257   0.699  -0.774  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -4.581   1.748  -2.536  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -4.106   0.842  -1.534  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.117   0.026  -1.562  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        0.613   1.595  -1.025  0.00  0.00    -0.079 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.139   1.075  -0.409  0.00  0.00    +0.168 A 
ATOM     18  N   LIG    1        2.246   0.120   0.560  0.00  0.00    -0.333 N 
ATOM     19  H   LIG    1        1.475  -0.391   0.973  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1        3.579  -0.052   0.833  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        4.222   0.854  -0.008  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        5.628   0.949   0.014  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        6.319   0.100   0.904  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.644  -0.800   1.733  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.399   1.898  -0.855  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        4.251  -0.897   1.716  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1        3.307   1.546  -0.770  0.00  0.00    -0.222 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6