REMARK  Name = BDB063850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.789  -3.954   1.982  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.600  -3.029   1.218  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.593  -2.120   0.581  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.904  -2.222   0.832  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.937  -1.253  -0.267  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.319  -1.565  -0.147  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.573  -2.577   0.710  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.452  -3.035   0.859  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.981  -1.401   0.257  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.816  -0.041  -0.044  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.896   0.670  -0.542  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1        4.972   2.074  -1.000  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        6.491   2.209  -1.109  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1        7.078   0.894  -1.255  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        6.121   0.058  -0.743  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        6.322  -1.275  -0.459  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.244  -2.003   0.055  0.00  0.00    +0.011 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.300  -0.948  -0.859  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.829  -0.344  -1.534  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.423  -0.214  -0.260  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -3.421  -1.144   0.464  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.610  -0.334   1.015  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -4.081   0.724   2.001  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -3.104   1.673   1.285  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -3.836   2.365   0.123  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.363   1.315  -0.868  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -5.333   0.369  -0.143  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -1.920   0.861   0.730  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -3.181   0.499  -1.413  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3