REMARK  Name = BDB012464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.597   2.407  -2.124  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.262   1.785  -0.914  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -2.241   1.127   0.009  0.00  0.00    +0.095 A 
ATOM      4  N   LIG    1       -1.848   0.028   0.570  0.00  0.00    -0.168 NA
ATOM      5  N   LIG    1       -2.692  -0.686   1.375  0.00  0.00    -0.225 N 
ATOM      6  C   LIG    1       -2.117  -1.862   2.052  0.00  0.00    +0.182 C 
ATOM      7  C   LIG    1       -1.315  -2.813   1.172  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -0.226  -2.357   0.404  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        0.511  -3.204  -0.433  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.495  -2.682  -1.439  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        1.987  -1.395  -1.381  0.00  0.00    -0.252 N 
ATOM     12  H   LIG    1        2.341  -1.055  -2.263  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1        2.459  -0.798  -0.235  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        2.795   0.543  -0.172  0.00  0.00    -0.307 N 
ATOM     15  C   LIG    1        2.588   1.545  -1.216  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        1.135   1.895  -1.478  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        0.785   2.556  -2.660  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.254   0.807   1.103  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        3.137  -0.413   1.762  0.00  0.00    +0.091 A 
ATOM     20  C   LIG    1        3.507  -0.511   3.111  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        3.987   0.630   3.764  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.092   1.846   3.087  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.725   1.963   1.740  0.00  0.00    +0.028 A 
ATOM     24  N   LIG    1        2.637  -1.377   0.929  0.00  0.00    -0.214 NA
ATOM     25  O   LIG    1        1.735  -3.354  -2.445  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        0.179  -4.562  -0.458  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -0.869  -5.049   0.331  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -1.616  -4.179   1.133  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.956  -0.227   1.714  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -4.727  -0.778   2.496  0.00  0.00    -0.266 OA
ATOM     31  C   LIG    1       -4.374   1.046   1.074  0.00  0.00    +0.074 A 
ATOM     32  C   LIG    1       -3.564   1.723   0.255  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1        0.099   1.579  -0.590  0.00  0.00    +0.019 A 
ATOM     34  C   LIG    1       -0.558   2.822  -2.970  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  36
ATOM     35  C   LIG    1       -3.266   2.904  -3.760  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -2.924   2.552  -2.424  0.00  0.00    -0.494 OA
ENDBRANCH   1  36
TORSDOF 1