REMARK  Name = BDB053800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143   0.465  -0.628  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.791  -0.571  -0.654  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.092  -0.357  -0.182  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.467   0.900   0.305  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.528   1.932   0.349  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.233   1.714  -0.126  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.833   1.159   0.825  0.00  0.00    +0.193 C 
ATOM      8  O   LIG    1        3.976   1.904   1.791  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.030   0.536   0.205  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        6.109   0.198   1.030  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        7.254  -0.381   0.482  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.330  -0.611  -0.891  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.265  -0.255  -1.721  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.117   0.324  -1.176  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -1.436   0.399  -1.061  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.018  -0.872  -1.331  0.00  0.00    +0.229 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.436  -1.611  -0.059  0.00  0.00    +0.042 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.167  -0.781   1.011  0.00  0.00    +0.021 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.446  -1.121  -0.106  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -4.530  -0.140   0.642  0.00  0.00    +0.062 C 
ATOM     21  C   LIG    1       -5.250   0.264   1.948  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.300   1.161  -0.126  0.00  0.00    +0.310 C 
ATOM     23  O   LIG    1       -3.807   2.183   0.325  0.00  0.00    -0.250 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.689   1.127  -1.414  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -4.429   2.011  -1.749  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9