REMARK  Name = BDB056745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.946  -1.419   0.902  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.823  -0.744  -0.368  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.157   0.161  -0.703  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.138   0.523  -2.014  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        0.685   1.448  -2.662  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        1.758   1.983  -2.023  0.00  0.00    -0.219 NA
ATOM      7  C   LIG    1        2.019   1.595  -0.754  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -1.260  -0.133  -2.458  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1        1.246   0.700  -0.016  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1       -1.668  -0.883  -1.450  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.102   2.217  -0.163  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.112   1.395   0.292  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1        4.572   0.285  -0.421  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1        5.609  -0.441   0.129  0.00  0.00    +0.127 A 
ATOM     15  O   LIG    1        6.154  -1.562  -0.440  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        7.363  -1.778   0.325  0.00  0.00    +0.234 C 
ATOM     17  C   LIG    1        7.222  -1.097   1.687  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        6.190  -0.095   1.341  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        5.753   1.008   2.051  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        4.711   1.766   1.510  0.00  0.00    +0.047 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  21
ATOM     21  C   LIG    1       -2.874  -1.768  -1.471  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.696  -1.492  -0.332  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.623  -0.490  -0.424  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.550  -0.461   0.622  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -6.550   0.519   0.659  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.615   1.480  -0.356  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.685   1.459  -1.394  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.690   0.478  -1.428  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.553   0.579   1.748  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -8.453   1.392   1.846  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.382  -0.386   2.671  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -8.105  -0.223   3.313  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 7