REMARK  Name = BDB057840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.735   0.520   0.727  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.286  -0.230   1.694  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.467  -1.009   2.403  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.088  -1.071   2.171  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.282  -1.909   2.984  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.848  -2.683   3.995  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.218  -2.626   4.209  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.613  -0.260   1.123  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.009  -1.792   3.416  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.427   0.546   0.423  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.826   1.016  -0.654  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -3.617   1.425  -0.029  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.241   2.785  -0.128  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.034   3.723  -0.787  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.231   3.325  -1.365  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.623   1.988  -1.297  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.682  -0.942  -2.049  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.289  -0.440  -0.652  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -6.441  -0.643   0.335  0.00  0.00    +0.012 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  N   LIG    1        0.765  -0.263   0.817  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.068  -1.220   0.664  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.141   0.585  -0.308  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.626   0.431  -0.554  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.102  -0.263  -1.673  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        4.477  -0.409  -1.886  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        5.413   0.129  -0.987  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.926   0.816   0.135  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.552   0.965   0.351  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.857  -0.026  -1.214  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.455   0.306  -2.431  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        8.777   0.183  -2.708  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        9.558  -0.294  -1.718  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        9.079  -0.653  -0.470  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.715  -0.516  -0.220  0.00  0.00    +0.011 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 6