REMARK  Name = BDB003900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.143  -0.885   0.491  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -1.878  -1.860  -0.202  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -1.438  -2.665  -1.020  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.361  -1.871   0.121  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -4.018  -0.472   0.031  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.192  -0.508   1.018  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -5.032  -0.318   2.223  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -6.407  -0.924   0.557  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -6.924  -1.170   1.399  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -7.207   0.033  -0.003  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -8.232   0.387   0.576  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.856   0.546  -1.380  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -5.410   0.979  -1.570  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.446  -0.195  -1.426  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.038   0.637   0.512  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -1.901   0.040   1.332  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        3.123  -0.598   0.235  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        2.473  -1.810  -0.006  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        1.076  -1.897   0.073  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        0.286  -0.784   0.399  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        0.955   0.427   0.637  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.354   0.523   0.556  0.00  0.00    +0.017 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.608  -0.557   0.138  0.00  0.00    +0.340 C 
ATOM     24  O   LIG    1        5.287  -1.535  -0.125  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.055   0.697   0.381  0.00  0.00    -0.455 OA
BRANCH  25  27
ATOM     26  C   LIG    1        7.057   0.761  -1.053  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.475   0.997   0.344  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        6.564   2.497   0.667  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        7.236   0.218   1.422  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4