REMARK  Name = BDB045618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.572  -0.458  -1.043  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.894  -1.451   0.086  0.00  0.00    +0.016 C 
BRANCH   2   3
ATOM      3  C   LIG    1        2.381  -1.817   0.160  0.00  0.00    +0.010 C 
BRANCH   3   4
ATOM      4  C   LIG    1        3.265  -0.673   0.662  0.00  0.00    +0.098 C 
BRANCH   4   5
ATOM      5  C   LIG    1        4.722  -1.095   0.808  0.00  0.00    +0.238 C 
ATOM      6  N   LIG    1        5.599  -0.073   1.160  0.00  0.00    -0.183 N 
ATOM      7  O   LIG    1        5.101  -2.244   0.582  0.00  0.00    -0.274 OA
BRANCH   6   8
ATOM      8  O   LIG    1        5.009   1.017   1.843  0.00  0.00    -0.292 OA
ATOM      9  H   LIG    1        5.097   1.732   1.186  0.00  0.00    +0.242 HD
ENDBRANCH   6   8
BRANCH   6  10
ATOM     10  C   LIG    1        6.909  -0.400   1.722  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1        7.907  -0.797   0.640  0.00  0.00    +0.142 C 
BRANCH  11  12
ATOM     12  C   LIG    1        9.250  -1.069   1.248  0.00  0.00    +0.306 C 
ATOM     13  O   LIG    1        9.564  -0.977   2.421  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       10.157  -1.439   0.322  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       10.977  -1.599   0.835  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  N   LIG    1       -0.844  -0.043  -1.074  0.00  0.00    -0.302 NA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.075   1.052  -2.037  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.455   2.388  -1.600  0.00  0.00    +0.015 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.873   3.522  -2.541  0.00  0.00    -0.002 C 
ATOM     20  C   LIG    1       -0.261   4.849  -2.120  0.00  0.00    +0.004 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -1.749  -1.174  -1.365  0.00  0.00    +0.084 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.553  -1.582  -0.122  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.474  -0.469   0.388  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.318  -0.950   1.571  0.00  0.00    +0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.202   0.144   2.170  0.00  0.00    -0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.260   0.756   1.245  0.00  0.00    -0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -7.091  -0.863  -0.551  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -7.361  -0.210   0.796  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 20