REMARK  Name = BDB045135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001   0.601  -2.012  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.355  -0.501  -2.576  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.003  -0.724  -2.337  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.719   0.172  -1.541  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        0.082   1.289  -0.994  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.278   1.508  -1.236  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.152  -0.078  -1.299  0.00  0.00    +0.160 C 
ATOM      8  N   LIG    1        2.876   0.714  -0.575  0.00  0.00    -0.093 NA
BRANCH   8   9
ATOM      9  O   LIG    1        4.186   0.211  -0.533  0.00  0.00    -0.393 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.959   1.034   0.345  0.00  0.00    +0.267 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.410   0.559   0.344  0.00  0.00    +0.079 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.609  -0.718   1.126  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1        6.428  -1.964   0.511  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        6.599  -3.144   1.237  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.950  -3.090   2.584  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.127  -1.856   3.208  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.955  -0.675   2.484  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  O   LIG    1       -3.323   0.739  -2.339  0.00  0.00    -0.477 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.181   1.291  -1.320  0.00  0.00    +0.285 C 
BRANCH  19  21
ATOM     20  O   LIG    1       -5.186   3.487  -0.981  0.00  0.00    -0.247 OA
ATOM     21  C   LIG    1       -4.525   2.736  -1.682  0.00  0.00    +0.346 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.034   3.122  -2.887  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1       -3.532   2.386  -3.304  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
BRANCH  19  24
ATOM     24  C   LIG    1       -5.472   0.456  -1.298  0.00  0.00    +0.091 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.886   0.093   0.108  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1       -6.656   0.980   0.873  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.016   0.654   2.181  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.607  -0.557   2.738  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.836  -1.442   1.987  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.474  -1.119   0.679  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11