REMARK  Name = BDB028296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.405   0.577  -0.479  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -1.517  -0.286  -0.534  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.795   0.157  -0.163  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.960   1.465   0.286  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.292   1.918   0.717  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.295   0.983   0.661  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.222   1.275   0.955  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.174  -0.295   0.213  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.480   3.064   1.110  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.870   2.338   0.346  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.007  -0.702  -0.198  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.603   1.895  -0.036  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.320  -0.236  -0.343  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        2.032   0.204   0.008  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        0.934   0.109  -0.868  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.180  -0.454  -2.115  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        2.382  -0.914  -2.516  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        3.400  -0.799  -1.624  0.00  0.00    +0.133 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.748  -0.430   0.025  0.00  0.00    +0.129 C 
ATOM     20  N   LIG    1        4.405  -0.158   0.538  0.00  0.00    -0.335 N 
ATOM     21  C   LIG    1        4.336   0.776   1.661  0.00  0.00    +0.129 C 
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH  11  22
ATOM     22  C   LIG    1       -3.915  -2.138  -0.708  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.668  -3.041   0.418  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -2.844  -2.745   0.939  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -4.452  -2.956   1.068  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH  11  22
TORSDOF 4