REMARK  Name = BDB002837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.940   0.204   0.427  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        1.771  -0.768  -0.092  0.00  0.00    +0.324 A 
ATOM      3  O   LIG    1        3.061  -0.358   0.077  0.00  0.00    -0.404 OA
ATOM      4  C   LIG    1        2.948   0.886   0.642  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.704   1.268   0.870  0.00  0.00    -0.204 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        4.194   1.598   0.918  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        5.449   1.045   0.618  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        6.624   1.750   0.893  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.560   3.016   1.472  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.323   3.579   1.775  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.148   2.874   1.500  0.00  0.00    +0.013 A 
ENDBRANCH   4   6
BRANCH   1  13
ATOM     12  N   LIG    1       -1.131  -0.943   0.388  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1       -0.496   0.175   0.545  0.00  0.00    +0.146 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -4.708  -0.471  -0.480  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1       -3.316  -0.533  -0.590  0.00  0.00    +0.073 A 
ATOM     16  C   LIG    1       -2.524  -0.869   0.511  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1       -3.138  -1.171   1.727  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -4.526  -1.111   1.847  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -5.311  -0.758   0.745  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -6.777  -0.060  -1.579  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.358  -0.121  -1.632  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   2  22
ATOM     22  O   LIG    1        1.640  -1.960  -0.646  0.00  0.00    -0.391 OA
BRANCH  22  23
ATOM     23  C   LIG    1        0.841  -1.935  -1.747  0.00  0.00    +0.311 C 
ATOM     24  O   LIG    1        0.461  -0.948  -2.366  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        0.513  -3.341  -2.154  0.00  0.00    +0.136 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6