REMARK  Name = BDB034973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.890  -1.268  -1.976  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.286  -0.515  -0.824  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.006   0.029  -0.934  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.526   0.729   0.193  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.258   1.280   0.095  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.513   1.147  -1.065  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1       -0.051   0.432  -2.111  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1       -2.220   0.889   1.338  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.443   0.348   1.410  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -1.284  -0.117  -2.069  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.014  -0.349   0.361  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.146   0.550   2.593  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.479  -0.322   2.987  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -3.526   1.042   3.231  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        1.888   1.743  -1.170  0.00  0.00    +0.075 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.840   0.667  -0.788  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1        3.201   0.242   0.476  0.00  0.00    +0.112 A 
ATOM     18  N   LIG    1        4.108  -0.762   0.301  0.00  0.00    -0.274 N 
ATOM     19  C   LIG    1        4.760  -1.534   1.330  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1        4.388  -1.008  -0.990  0.00  0.00    -0.180 NA
ATOM     21  C   LIG    1        3.617  -0.143  -1.650  0.00  0.00    +0.138 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3