REMARK  Name = BDB002120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362   0.994  -0.512  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.879   2.399  -0.647  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -2.074   2.664  -0.731  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        0.095   3.501  -0.697  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.458   3.244  -0.707  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.370   4.310  -0.759  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.911   5.628  -0.802  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.543   5.886  -0.795  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.962   1.863  -0.664  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1        3.175   1.667  -0.678  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -0.364   4.827  -0.743  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.965   0.737  -0.577  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1        1.450  -0.600  -0.535  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1        1.620  -1.218   0.798  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        1.562  -2.739   0.676  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        2.584  -3.259  -0.332  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        2.443  -2.534  -1.668  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        2.509  -1.019  -1.476  0.00  0.00    +0.105 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1       -1.290  -0.053  -0.475  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1       -0.818  -0.926  -0.742  0.00  0.00    +0.152 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -2.604  -1.710   0.741  0.00  0.00    +0.141 A 
ATOM     22  C   LIG    1       -2.120  -0.381   0.641  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -2.555   0.560   1.581  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -3.412   0.191   2.621  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.858  -1.123   2.726  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.457  -2.074   1.788  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -2.771  -3.845  -0.307  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.136  -2.576  -0.221  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4