REMARK  Name = BDB045717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.798   2.369  -1.875  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.358   1.262  -2.567  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.618   0.993  -2.434  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.986   2.649  -1.734  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.907   1.568  -0.304  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -0.956   2.547  -0.136  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -0.347   3.224  -1.287  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1        0.154   4.548  -0.716  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        0.530   4.191   0.718  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -0.561   3.192   1.109  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -2.191   1.153  -1.431  0.00  0.00    -0.276 OA
BRANCH   9  12
ATOM     12  O   LIG    1        0.513   5.352   1.530  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1        0.980   5.140   2.358  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
BRANCH   5  14
ATOM     14  C   LIG    1       -2.586   0.995   0.933  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.459  -1.456   0.246  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -2.124  -0.426   1.338  0.00  0.00    -0.029 C 
ATOM     17  C   LIG    1       -0.617  -0.466   1.632  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -2.879  -0.826   2.622  0.00  0.00    +0.011 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        1.265   0.276  -3.101  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.477  -0.854  -2.128  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        0.646  -1.979  -2.149  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        0.825  -3.013  -1.223  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        1.836  -2.945  -0.255  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        2.663  -1.813  -0.237  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.484  -0.777  -1.159  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        2.007  -4.017   0.714  0.00  0.00    +0.155 A 
ATOM     27  O   LIG    1        3.164  -4.017   1.454  0.00  0.00    -0.442 OA
ATOM     28  C   LIG    1        3.051  -5.114   2.249  0.00  0.00    +0.308 A 
ATOM     29  N   LIG    1        1.945  -5.805   2.098  0.00  0.00    -0.224 NA
ATOM     30  C   LIG    1        1.276  -5.115   1.117  0.00  0.00    +0.160 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7