REMARK  Name = BDB060649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695  -0.513   0.867  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.219   0.474   0.556  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -1.573   0.443   1.105  0.00  0.00    +0.107 C 
ATOM      4  C   LIG    1       -2.077   1.880   0.904  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -1.343   2.343  -0.351  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.026   1.695  -0.201  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.444  -1.491   1.562  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.633  -0.257  -0.752  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        4.228   0.650   0.237  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.939   0.576   0.771  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.054  -0.399   0.303  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.456  -1.321  -0.668  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.745  -1.244  -1.200  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        7.025  -0.107  -1.744  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        5.956  -0.178  -1.299  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -2.490  -0.568   0.439  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1       -2.318  -1.004  -0.880  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -3.225  -1.908  -1.413  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -4.284  -2.400  -0.738  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -4.434  -1.978   0.534  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -3.582  -1.077   1.155  0.00  0.00    +0.025 A 
ENDBRANCH   3  16
TORSDOF 3