REMARK  Name = BDB045833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.007   0.511   0.692  0.00  0.00    +0.312 C 
ATOM      2  O   LIG    1       -0.440  -0.202   1.580  0.00  0.00    -0.250 OA
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -0.720   1.242  -0.240  0.00  0.00    -0.426 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -4.882   0.972   0.075  0.00  0.00    +0.059 A 
ATOM      5  C   LIG    1       -4.144  -0.134  -0.376  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.753  -0.057  -0.475  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.106   1.122  -0.106  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -2.822   2.236   0.325  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.212   2.157   0.421  0.00  0.00    +0.018 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -6.365   0.945   0.199  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1       -7.029   1.900   0.571  0.00  0.00    -0.245 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -6.854  -0.269  -0.158  0.00  0.00    -0.461 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -8.673  -1.782  -0.486  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -8.279  -0.380  -0.062  0.00  0.00    +0.229 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1        1.481   0.700   0.428  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.965  -0.296  -0.620  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.429  -0.097  -1.017  0.00  0.00    +0.002 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.412  -0.392   0.118  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.861  -0.283  -0.359  0.00  0.00    +0.115 C 
BRANCH  19  20
ATOM     20  N   LIG    1        6.766  -0.584   0.742  0.00  0.00    -0.356 N 
ATOM     21  H   LIG    1        6.442  -0.217   1.628  0.00  0.00    +0.162 HD
BRANCH  20  22
ATOM     22  C   LIG    1        8.111  -0.579   0.618  0.00  0.00    +0.188 C 
ATOM     23  N   LIG    1        8.922  -0.321   1.580  0.00  0.00    -0.269 NA
ATOM     24  H   LIG    1        8.394  -0.126   2.432  0.00  0.00    +0.190 HD
BRANCH  22  25
ATOM     25  N   LIG    1        8.608  -0.884  -0.593  0.00  0.00    -0.370 N 
ATOM     26  H   LIG    1        8.198  -1.726  -0.976  0.00  0.00    +0.159 HD
ATOM     27  H   LIG    1        9.616  -0.987  -0.520  0.00  0.00    +0.159 HD
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 13