REMARK  Name = BDB044012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.098  -1.676  -0.384  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -2.481  -0.643   0.556  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -3.713  -0.022   0.632  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.768   0.572   1.875  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -4.916   1.173   2.330  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -4.944   1.584   3.253  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -6.077   1.195   1.584  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -6.041   0.596   0.209  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -7.193   0.666  -0.587  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -7.169   0.167  -1.887  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.995  -0.386  -2.395  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.843  -0.460  -1.604  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -7.104   1.702   2.027  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.525   0.441   2.504  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -4.856   0.004  -0.285  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.693  -0.245   1.632  0.00  0.00    +0.107 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1       -0.293  -0.552   1.853  0.00  0.00    +0.261 C 
ATOM     18  N   LIG    1        0.490  -0.426   0.723  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        0.104   0.156  -0.007  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        0.165  -0.839   2.953  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  C   LIG    1        1.938  -0.486   0.826  0.00  0.00    +0.106 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.568  -0.756  -0.537  0.00  0.00    +0.034 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.095  -0.890  -0.463  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.774   0.315   0.032  0.00  0.00    -0.298 NA
ATOM     25  C   LIG    1        4.596   1.472  -0.875  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        5.729   2.500  -0.733  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        7.004   1.965  -1.115  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        7.124   0.559  -0.856  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        6.213   0.071   0.281  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  17
TORSDOF 5