REMARK  Name = BDB045628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.531   0.423  -2.832  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.896  -0.207  -3.067  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        2.683   0.431  -3.992  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        2.279  -1.217  -2.475  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        2.230   1.604  -4.622  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        2.892   2.273  -4.334  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        4.016   0.002  -4.400  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.093   0.379  -3.388  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.322   1.868  -3.344  0.00  0.00    +0.308 C 
ATOM     10  O   LIG    1        4.564   2.711  -3.809  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        6.482   2.136  -2.685  0.00  0.00    -0.468 OA
ATOM     12  C   LIG    1        6.782   3.528  -2.563  0.00  0.00    +0.280 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.297  -0.281  -1.756  0.00  0.00    +0.010 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.210   0.017  -0.339  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.594  -0.714   0.748  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.024  -0.386   0.767  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -2.296   0.997   1.136  0.00  0.00    +0.104 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -2.836  -1.363   1.505  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.387  -1.831   2.901  0.00  0.00    +0.015 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.400  -0.798   4.025  0.00  0.00    +0.001 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.738  -0.109   4.311  0.00  0.00    -0.000 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.742  -1.633   3.854  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.821  -1.020   4.899  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 15