REMARK  Name = BDB058619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.676   0.789   0.028  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -1.230   0.512   0.277  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.745  -0.758  -0.004  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.613  -1.068   0.193  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1        1.486  -0.105   0.692  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.991   1.163   1.004  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.666  -1.801  -0.482  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -1.215  -2.916  -0.735  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.002  -1.438  -0.598  0.00  0.00    -0.225 N 
ATOM     10  C   LIG    1       -0.358   1.474   0.804  0.00  0.00    +0.016 A 
ATOM     11  N   LIG    1       -3.465  -0.167  -0.374  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -4.032  -2.394  -1.036  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -4.177  -3.570  -0.069  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -3.804  -2.870  -2.471  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
BRANCH   1  15
ATOM     15  N   LIG    1       -3.112   2.095   0.193  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -2.458   2.826  -0.040  0.00  0.00    +0.155 HD
BRANCH  15  22
ATOM     17  C   LIG    1       -7.254   4.787   0.417  0.00  0.00    +0.065 C 
ATOM     18  C   LIG    1       -6.212   3.740   0.463  0.00  0.00    +0.035 A 
ATOM     19  N   LIG    1       -6.472   2.463   0.871  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1       -7.354   2.067   1.178  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1       -5.397   1.669   0.866  0.00  0.00    -0.158 NA
ATOM     22  C   LIG    1       -4.409   2.427   0.385  0.00  0.00    +0.146 A 
ATOM     23  C   LIG    1       -4.872   3.748   0.147  0.00  0.00    +0.068 A 
ENDBRANCH  15  22
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  O   LIG    1        2.820  -0.272   0.935  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.392  -1.539   0.593  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.900  -1.531   0.913  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.755  -1.079  -0.203  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        5.637   0.365  -0.500  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1        6.777   1.210   0.092  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        8.074   0.819  -0.378  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        8.142  -0.566  -0.748  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        7.169  -1.438   0.057  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7