REMARK  Name = BDB028556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.343   0.623   0.669  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1       -1.278  -0.588   0.497  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -2.081  -1.298  -0.371  0.00  0.00    -0.266 N 
ATOM      4  C   LIG    1       -3.148  -0.611  -1.102  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1       -4.444  -1.445  -1.103  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1       -4.190  -2.810  -1.784  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -2.725  -3.254  -1.746  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -1.991  -2.749  -0.510  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1       -5.531  -0.747  -1.800  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -6.052  -1.335  -2.448  0.00  0.00    +0.146 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -6.377   0.145  -1.134  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -7.521   0.596  -1.802  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -8.348   1.529  -1.193  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1       -8.110   2.060   0.022  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -6.984   1.650   0.638  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -6.099   0.721   0.105  0.00  0.00    +0.042 A 
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   2  17
ATOM     17  O   LIG    1       -0.389  -1.383   1.148  0.00  0.00    -0.448 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.467  -0.751   2.127  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.582   0.080   1.458  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.126   1.424   1.249  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        0.206   1.385   0.908  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.839   0.110   2.366  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.096   0.670   1.836  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.649  -0.114   0.722  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.935   0.464   0.167  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.264   1.817   0.373  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.442   2.339  -0.177  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.277   1.531  -0.949  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.944   0.197  -1.173  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.383   2.682   1.240  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.778  -0.334  -0.620  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.984   2.082   1.446  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8