REMARK  Name = BDB056244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.384  -1.168  -1.373  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.430  -0.174  -0.871  0.00  0.00    +0.098 C 
BRANCH   2   4
ATOM      3  N   LIG    1        5.850   0.284  -0.889  0.00  0.00    -0.183 N 
ATOM      4  C   LIG    1        4.844  -0.610  -1.209  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1        5.109  -1.682  -1.756  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  O   LIG    1        7.158  -0.229  -1.103  0.00  0.00    -0.292 OA
ATOM      7  H   LIG    1        6.971  -1.098  -1.524  0.00  0.00    +0.242 HD
ENDBRANCH   3   6
BRANCH   3   8
ATOM      8  C   LIG    1        5.840   1.271   0.186  0.00  0.00    +0.151 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.035   0.638   1.553  0.00  0.00    +0.142 C 
BRANCH   9  11
ATOM     10  O   LIG    1        6.844   2.284   3.143  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1        5.923   1.693   2.607  0.00  0.00    +0.306 C 
BRANCH  11  12
ATOM     12  O   LIG    1        4.645   1.978   2.919  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        4.717   2.663   3.619  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.967  -0.705  -1.032  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.078  -1.706  -1.532  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.521  -1.238  -1.314  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.902  -1.119   0.164  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.398  -0.873   0.384  0.00  0.00    +0.005 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.876   0.476  -0.160  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.324   0.729   0.179  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1       -6.343   0.257  -0.658  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -7.683   0.477  -0.336  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -8.016   1.167   0.828  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.011   1.635   1.672  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.670   1.416   1.351  0.00  0.00    +0.003 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 14