REMARK  Name = BDB045623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.039   0.136   0.635  0.00  0.00    +0.238 C 
ATOM      2  N   LIG    1        2.919   0.658  -0.309  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1        2.425  -0.440   1.651  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1        2.383   1.677  -1.133  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1        2.372   1.238  -2.004  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1        0.562   0.282   0.290  0.00  0.00    +0.098 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.339  -0.442   1.291  0.00  0.00    +0.010 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.835  -0.213   1.044  0.00  0.00    +0.016 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.328  -0.828  -0.276  0.00  0.00    +0.084 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.772  -0.729  -0.546  0.00  0.00    -0.306 NA
ATOM     11  C   LIG    1       -4.562  -1.514   0.402  0.00  0.00    +0.104 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -5.595   0.790  -1.306  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.229   0.664  -0.640  0.00  0.00    +0.081 C 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        4.300   0.955   0.068  0.00  0.00    +0.151 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.165  -0.299   0.087  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.583   0.053   0.423  0.00  0.00    +0.306 C 
ATOM     17  O   LIG    1        7.039   1.163   0.635  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.378  -1.034   0.461  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        8.262  -0.682   0.699  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 11