REMARK  Name = BDB012476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.571   4.131   1.694  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.198   3.477   0.417  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.835   2.390  -0.230  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.828   1.481   0.275  0.00  0.00    +0.095 A 
ATOM      5  N   LIG    1       -2.381   0.561   1.060  0.00  0.00    -0.168 NA
ATOM      6  N   LIG    1       -3.239  -0.466   1.387  0.00  0.00    -0.225 N 
ATOM      7  C   LIG    1       -2.612  -1.634   2.017  0.00  0.00    +0.182 C 
ATOM      8  C   LIG    1       -1.883  -2.521   1.018  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -0.889  -1.996   0.169  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.284  -2.784  -0.821  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        0.563  -2.174  -1.890  0.00  0.00    +0.250 C 
ATOM     12  N   LIG    1        1.087  -0.916  -1.667  0.00  0.00    -0.252 N 
ATOM     13  H   LIG    1        1.323  -0.516  -2.568  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        2.188  -0.825  -0.834  0.00  0.00    +0.203 A 
ATOM     15  N   LIG    1        2.662   0.387  -0.370  0.00  0.00    -0.310 N 
ATOM     16  C   LIG    1        1.850   1.572  -0.159  0.00  0.00    +0.148 C 
ATOM     17  C   LIG    1        1.414   2.349  -1.404  0.00  0.00    +0.165 C 
ATOM     18  N   LIG    1        0.066   2.877  -1.171  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        3.886   0.157   0.221  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        4.029  -1.228   0.172  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1        5.169  -1.826   0.729  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        6.138  -1.009   1.322  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.973   0.376   1.365  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.840   0.991   0.819  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        2.957  -1.815  -0.450  0.00  0.00    -0.214 NA
ATOM     26  O   LIG    1        0.613  -2.675  -3.011  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -0.624  -4.136  -0.917  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -1.564  -4.686  -0.042  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.198  -3.882   0.910  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.554  -0.526   0.942  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -5.336  -1.446   1.168  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -5.019   0.629   0.126  0.00  0.00    +0.074 A 
ATOM     33  C   LIG    1       -4.191   1.617  -0.230  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -1.102   2.181  -1.391  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1       -1.335   1.244  -2.517  0.00  0.00    +0.066 C 
ATOM     36  N   LIG    1       -0.075   3.831  -0.225  0.00  0.00    -0.176 NA
ENDROOT
TORSDOF 0