REMARK  Name = BDB057849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.916   0.801  -0.445  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.611   0.441  -0.534  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -0.720   1.101   0.226  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -1.135   2.139   1.020  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.375   3.030   1.941  0.00  0.00    +0.041 C 
ATOM      6  C   LIG    1       -1.382   4.172   2.149  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -2.779   3.559   1.984  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -2.482   2.437   1.031  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -3.407   1.792   0.321  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.855  -0.810  -0.845  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -3.855   0.080  -1.310  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.743   0.299  -2.703  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.598  -0.312  -3.619  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.592  -1.162  -3.161  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.719  -1.407  -1.794  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.973  -0.170   1.336  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.094  -1.193   0.615  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -3.840  -1.530   1.427  0.00  0.00    +0.012 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  N   LIG    1        0.642   0.776   0.172  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        1.011   0.678   1.113  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.952  -0.391  -0.643  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.435  -0.673  -0.546  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.910  -1.799   0.137  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.284  -2.045   0.230  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.220  -1.175  -0.352  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.734  -0.047  -1.031  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.361   0.203  -1.126  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.664  -1.436  -0.253  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.286  -1.691   0.971  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.609  -1.943   1.133  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.364  -1.940   0.016  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.859  -1.698  -1.250  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.494  -1.444  -1.381  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6