REMARK  Name = BDB056537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.570   0.466  -1.032  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -2.405   0.374   0.034  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1       -3.724   0.426  -0.268  0.00  0.00    +0.149 A 
ATOM      4  C   LIG    1       -4.269   0.573  -1.541  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -5.677   0.587  -1.402  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -5.957   0.446  -0.063  0.00  0.00    +0.098 A 
ATOM      7  C   LIG    1       -3.381   0.673  -2.621  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1       -4.768   0.339   0.650  0.00  0.00    -0.255 N 
ATOM      9  C   LIG    1       -4.695   0.170   2.049  0.00  0.00    +0.317 C 
ATOM     10  O   LIG    1       -5.711   0.116   2.727  0.00  0.00    -0.249 OA
ATOM     11  N   LIG    1       -3.424   0.072   2.529  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1       -2.620   0.084   1.902  0.00  0.00    +0.147 HD
ATOM     13  H   LIG    1       -3.278  -0.091   3.514  0.00  0.00    +0.147 HD
ATOM     14  C   LIG    1       -2.014   0.617  -2.347  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.630   0.311  -0.028  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1        2.145  -0.349  -1.164  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        0.785  -0.304  -1.491  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -0.131   0.408  -0.699  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        0.369   1.065   0.439  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.728   1.023   0.770  0.00  0.00    +0.005 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.105   0.275   0.315  0.00  0.00    +0.119 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.108  -1.044   0.517  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.647  -1.091   0.440  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1        4.109  -1.773   1.621  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 3