REMARK  Name = BDB049088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.309  -0.702  -0.473  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -3.638   0.727  -0.448  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.245   1.383  -0.512  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.481   0.470  -1.512  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.300  -0.842  -1.534  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.017   0.293  -1.158  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.400  -0.495  -0.082  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.762  -0.633   0.221  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.764   0.014  -0.521  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.324   0.806  -1.592  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.964   0.951  -1.904  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        4.108  -0.135  -0.216  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1        5.165   0.256  -1.160  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        6.503  -0.459  -0.858  0.00  0.00    +0.126 C 
ATOM     15  N   LIG    1        6.946  -0.248   0.521  0.00  0.00    -0.307 N 
ATOM     16  C   LIG    1        5.920   0.122   1.504  0.00  0.00    +0.126 C 
ATOM     17  C   LIG    1        4.539  -0.476   1.155  0.00  0.00    +0.124 C 
BRANCH  15  18
ATOM     18  C   LIG    1        8.212  -0.512   0.946  0.00  0.00    +0.161 A 
ATOM     19  S   LIG    1        9.485  -1.068  -0.101  0.00  0.00    -0.061 S 
ATOM     20  C   LIG    1       10.578  -1.091   1.211  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        9.929  -0.694   2.355  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        8.598  -0.369   2.199  0.00  0.00    -0.233 NA
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  23
ATOM     23  N   LIG    1       -2.170   2.834  -0.805  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -2.922   3.263  -1.983  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -2.574   3.623   0.362  0.00  0.00    +0.104 C 
ENDBRANCH   3  23
BRANCH   1  26
ATOM     26  C   LIG    1       -4.457  -1.587  -0.679  0.00  0.00    +0.122 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -7.219  -0.304  -0.719  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -6.680  -1.015   0.492  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -5.403  -1.620   0.504  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.988  -2.282   1.670  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1       -3.792  -2.890   1.709  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -5.793  -2.346   2.805  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -7.044  -1.743   2.794  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -7.484  -1.084   1.646  0.00  0.00    +0.004 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 6