REMARK  Name = BDB002512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.402   1.200   0.050  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.113   0.467   0.178  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1       -0.751   1.613   0.655  0.00  0.00    +0.295 C 
ATOM      4  O   LIG    1       -0.086   2.787   0.198  0.00  0.00    -0.380 OA
ATOM      5  N   LIG    1        1.293   2.490   0.077  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        5.181  -0.782  -0.381  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        5.124   0.614  -0.199  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        3.882   1.244  -0.062  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.697   0.497  -0.103  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.756  -0.885  -0.291  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.994  -1.521  -0.428  0.00  0.00    +0.050 A 
BRANCH   6  13
ATOM     12  C   LIG    1        6.536  -2.721  -0.736  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.436  -1.324  -0.502  0.00  0.00    -0.491 OA
ENDBRANCH   6  13
BRANCH   7  14
ATOM     14  O   LIG    1        6.332   1.268  -0.164  0.00  0.00    -0.491 OA
ATOM     15  C   LIG    1        6.312   2.686  -0.070  0.00  0.00    +0.277 C 
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.181   1.489   0.111  0.00  0.00    +0.261 C 
ATOM     17  N   LIG    1       -2.877   0.444   0.714  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1       -2.418  -0.039   1.476  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -2.619   2.235  -0.757  0.00  0.00    -0.271 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.189   0.009   0.429  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.699  -1.034   1.212  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -5.989  -1.530   0.992  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.787  -0.998  -0.023  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -8.183  -1.501  -0.240  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.283   0.052  -0.795  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.992   0.548  -0.575  0.00  0.00    +0.023 A 
ENDBRANCH  17  20
ENDBRANCH   3  16
TORSDOF 5