REMARK  Name = BDB057895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.449  -0.615   0.245  0.00  0.00    -0.246 N 
ATOM      2  N   LIG    1        0.229   0.571   0.829  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.360   1.262   0.771  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        2.311   0.489   0.151  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        1.740  -0.720  -0.193  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.079  -0.396   0.726  0.00  0.00    +0.216 C 
ATOM      7  N   LIG    1       -2.814  -0.947   0.715  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1       -1.913  -1.062  -0.425  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -0.597  -1.612   0.137  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1       -0.993  -2.213   1.490  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -2.167  -1.359   1.945  0.00  0.00    +0.110 C 
ATOM     12  O   LIG    1       -4.740  -0.316   1.759  0.00  0.00    -0.276 OA
BRANCH   6  13
ATOM     13  C   LIG    1       -4.611   0.069  -0.623  0.00  0.00    +0.096 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.992   2.096   0.032  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -6.006   0.690  -0.552  0.00  0.00    +0.006 C 
ENDBRANCH  13  15
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1        3.682   0.921  -0.085  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1        3.958   2.211   0.227  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        5.213   2.664   0.029  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        6.233   1.885  -0.476  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.940   0.561  -0.794  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        4.648   0.065  -0.598  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        7.028  -0.284  -1.335  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        8.174   0.073  -1.530  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.627  -1.537  -1.609  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.438  -1.972  -1.951  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 6