REMARK  Name = BDB062997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.392   3.512   0.065  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1        0.405   2.768  -1.008  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.079   1.364  -1.275  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        0.101   0.326  -0.351  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.339  -0.970  -0.706  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.968  -1.241  -1.932  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.149  -0.188  -2.828  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.716   0.514   1.001  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1        1.804   1.296   1.183  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        2.465   2.144   0.307  0.00  0.00    -0.280 N 
ATOM     11  C   LIG    1        3.834   2.512   0.664  0.00  0.00    +0.137 C 
ATOM     12  C   LIG    1       -0.709   1.095  -2.506  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.911   2.826  -0.776  0.00  0.00    +0.226 C 
ATOM     14  O   LIG    1        2.599   3.549  -1.508  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        0.206  -0.208   2.146  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -1.119  -0.303   2.512  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -1.144  -1.069   3.640  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -2.306  -1.450   4.405  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        0.075  -1.489   4.030  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        0.897  -0.960   3.120  0.00  0.00    +0.143 A 
ENDBRANCH   8  15
BRANCH   6  21
ATOM     21  C   LIG    1       -1.392  -2.649  -2.269  0.00  0.00    +0.170 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.622  -2.636  -3.003  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -2.658  -3.498  -3.462  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -0.326  -3.389  -3.093  0.00  0.00    +0.192 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.778  -4.721  -3.365  0.00  0.00    -0.392 OA
ATOM     26  H   LIG    1       -0.660  -5.238  -2.548  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   6  21
TORSDOF 5