REMARK  Name = BDB053420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034  -0.265  -1.048  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.757  -0.455   0.263  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.409  -0.730   0.977  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.581  -0.356   0.463  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.184  -0.501   1.506  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.083  -0.048  -0.909  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.348   0.160  -1.296  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.013  -0.031  -1.786  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.544   0.155  -0.451  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.573  -0.754  -0.739  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.706  -0.719   0.048  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.791  -1.529  -0.088  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.622  -1.048   0.989  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.036   0.045   1.725  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.846   0.177   1.080  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.863   1.092   1.383  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.701   1.081   0.603  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.293  -0.363  -1.550  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -2.331  -0.306  -2.562  0.00  0.00    +0.155 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -7.373   0.644   0.915  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.042   0.420   0.261  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -4.877   0.952   0.820  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.631   0.717   0.228  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -3.519  -0.056  -0.932  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1       -4.691  -0.599  -1.477  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.939  -0.368  -0.887  0.00  0.00    +0.005 A 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3