REMARK  Name = BDB056773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663   1.132  -1.194  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.738   0.875   0.225  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.124   0.076   0.939  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.352   0.141   2.244  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.298  -0.578   3.259  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.422  -1.345   2.928  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.894  -1.381   1.615  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -1.459   0.946   2.324  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.244  -0.689   0.582  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.688   1.369   1.094  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        2.987  -2.187   1.373  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.009  -1.645   0.623  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        4.559  -0.389   0.907  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        5.602   0.054   0.113  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.407   1.291   0.211  0.00  0.00    +0.080 C 
ATOM     16  C   LIG    1        7.132   1.214  -1.133  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1        7.145  -0.159  -1.590  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        6.101  -0.735  -0.914  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1        5.595  -1.989  -1.187  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        4.535  -2.449  -0.403  0.00  0.00    +0.050 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1       -2.818   2.262   0.695  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.534   1.686  -0.404  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.513   0.770  -0.136  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.306   0.434  -1.238  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -6.341  -0.498  -1.103  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.565  -1.128   0.123  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.771  -0.799   1.220  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.750   0.150   1.092  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.195  -0.865  -2.253  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -7.547  -2.008  -2.487  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.577   0.202  -2.986  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.364   1.066  -2.584  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7