REMARK  Name = BDB046754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.339   0.296   0.079  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1       -0.222  -0.075   1.016  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.789   0.640  -0.636  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.845   0.927  -1.825  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.635  -0.250   0.536  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -1.682   0.280  -0.363  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.094   0.761  -1.609  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.446   0.710  -1.975  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.386   0.187  -1.081  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.982  -0.287   0.171  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.850   1.240  -3.310  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -3.104   1.998  -3.925  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -5.190   0.844  -3.873  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -2.128  -0.678   1.740  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.670  -0.500   3.600  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.970  -1.424   2.620  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        2.057   0.603   0.143  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.229   0.187  -0.502  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.442   0.147   0.196  0.00  0.00    +0.060 A 
ATOM     20  C   LIG    1        4.476   0.535   1.544  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.311   0.966   2.183  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.103   1.003   1.485  0.00  0.00    +0.013 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.657  -0.318  -0.528  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.637  -0.763  -1.664  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.760  -0.175   0.248  0.00  0.00    -0.464 OA
ATOM     26  C   LIG    1        7.971  -0.591  -0.386  0.00  0.00    +0.280 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 7