REMARK  Name = BDB012328
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.791  -0.953   1.346  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.492  -1.396   1.078  0.00  0.00    +0.219 A 
ATOM      3  C   LIG    1        0.189  -2.303   2.074  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.327  -2.359   2.888  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.300  -1.557   2.466  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.610   1.236   0.343  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.857   0.302   1.057  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.570   0.006   0.613  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.035   0.600  -0.488  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.787   1.498  -1.157  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.068   1.847  -0.786  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.696   2.413   0.168  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.985   1.609   0.743  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.405   0.961   1.842  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.313   1.298   1.991  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.197  -0.944   0.025  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.536  -1.411  -0.116  0.00  0.00    +0.234 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.157  -0.756  -1.362  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -2.087   0.785  -1.267  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -3.132   1.442  -2.160  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1       -4.541   1.055  -1.729  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1       -5.352   1.090  -2.820  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1       -5.027   1.986  -0.867  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1       -4.641  -0.314  -1.066  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1       -3.588  -1.272  -1.613  0.00  0.00    +0.012 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6