REMARK  Name = BDB056251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.193   1.147  -0.224  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.437   0.571  -0.885  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1       -4.647   1.080  -0.419  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1       -3.379  -0.319  -1.732  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1       -4.574   2.346   0.208  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1       -4.792   2.113   1.129  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1       -5.849   0.966  -1.242  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -6.469  -0.424  -1.166  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.759  -0.422  -1.926  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1       -7.912  -0.102  -3.092  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -8.812  -0.807  -1.177  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1       -9.572  -0.776  -1.797  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.905   0.505  -0.751  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.362   1.141  -0.168  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.590   0.781   1.303  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.803   1.482   1.925  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.151   1.228   1.244  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.547  -0.252   1.202  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.954  -0.430   0.620  0.00  0.00    +0.003 C 
BRANCH  19  21
ATOM     20  C   LIG    1        6.904  -1.942   0.152  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        5.453  -1.887   0.637  0.00  0.00    -0.017 C 
ATOM     22  C   LIG    1        4.588  -2.814  -0.220  0.00  0.00    +0.007 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14