REMARK  Name = BDB051711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.430   2.197  -0.729  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.729   1.654  -0.410  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -3.103   0.344  -0.365  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.328  -0.860  -0.596  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -3.017  -2.062  -0.633  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -4.522  -2.118  -0.549  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -5.168  -0.941   0.229  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.224  -3.160  -0.846  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -0.885  -3.089  -0.984  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -0.322  -1.873  -0.928  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -1.001  -0.737  -0.732  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -4.439   0.339  -0.007  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.798   1.708   0.147  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.740   2.498  -0.116  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.095   2.282   0.535  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.242   3.280   1.236  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -7.199   1.650   0.017  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -8.056   2.176   0.127  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.093   1.123  -0.838  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        1.057  -1.850  -1.089  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        1.359  -2.806  -0.935  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.738  -0.844  -0.282  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.265  -0.953  -0.487  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.047   0.054   0.253  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1        3.892  -0.076   1.712  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1        5.079   0.466   2.522  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        5.735   1.647   1.822  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        6.183   1.266   0.410  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        5.455   0.036  -0.147  0.00  0.00    +0.084 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 5