REMARK  Name = BDB047320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.928   2.417   0.178  0.00  0.00    +0.070 A 
ATOM      2  N   LIG    1        0.183   1.762   0.596  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1        1.280   1.808  -0.172  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        1.341   2.455  -1.338  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.232   3.098  -1.738  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -0.939   3.112  -1.019  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.444   1.161   0.220  0.00  0.00    -0.313 N 
ATOM      8  H   LIG    1        2.999   1.092  -0.629  0.00  0.00    +0.149 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.221  -0.101   0.913  0.00  0.00    +0.109 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.556  -0.745   1.310  0.00  0.00    +0.055 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.367  -1.215   0.132  0.00  0.00    -0.028 A 
ATOM     12  C   LIG    1        5.431  -0.461  -0.354  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        6.185  -0.813  -1.419  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        5.868  -1.974  -2.031  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.830  -2.797  -1.628  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.068  -2.409  -0.530  0.00  0.00    +0.006 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  C   LIG    1       -2.147   2.312   1.083  0.00  0.00    +0.195 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.024   1.121   0.766  0.00  0.00    +0.102 A 
ATOM     19  S   LIG    1       -3.773   0.926  -0.777  0.00  0.00    -0.070 S 
ATOM     20  C   LIG    1       -4.494  -0.545  -0.255  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.121  -0.789   1.067  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -4.603  -1.950   1.705  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -5.438  -2.830   1.009  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.797  -2.566  -0.309  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.333  -1.421  -0.963  0.00  0.00    +0.017 A 
ATOM     26  N   LIG    1       -3.291   0.164   1.634  0.00  0.00    -0.242 NA
ENDBRANCH  17  18
BRANCH  17  28
ATOM     27  N   LIG    1       -3.586   4.521   1.129  0.00  0.00    -0.195 NA
ATOM     28  C   LIG    1       -2.958   3.543   1.126  0.00  0.00    +0.079 C 
ENDBRANCH  17  28
ENDBRANCH   1  17
TORSDOF 7