REMARK  Name = BDB045621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.235   1.688   0.622  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.462   0.936   0.123  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        3.828  -0.169   0.889  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        4.072   1.266  -0.893  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        3.410  -0.120   2.241  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        2.764  -0.851   2.272  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        5.180  -0.714   0.777  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.339  -1.587  -0.462  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.718  -2.173  -0.510  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1        7.610  -2.035   0.309  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        6.904  -2.936  -1.605  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        7.831  -3.246  -1.532  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        1.677   2.694  -0.386  0.00  0.00    +0.009 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.053   2.077  -1.644  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.077   1.069  -1.412  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.266   1.650  -0.640  0.00  0.00    +0.015 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.411   0.630  -0.543  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.589   1.197   0.121  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -3.432   1.313   1.567  0.00  0.00    +0.104 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.855   0.562  -0.266  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.270  -0.771   0.379  0.00  0.00    +0.015 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.993  -3.272   0.501  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.370  -1.959   0.046  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 15