REMARK  Name = BDB046261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.475   1.001   0.459  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.148   0.066  -0.348  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.841  -1.321  -0.371  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -0.739  -1.736   0.404  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -0.070  -0.839   1.264  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.453   0.510   1.283  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.827   2.501   0.473  0.00  0.00    -0.010 C 
ATOM      8  C   LIG    1       -2.965   2.889  -0.502  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -2.326   2.873   1.892  0.00  0.00    +0.016 C 
BRANCH   7  11
ATOM     10  C   LIG    1        0.049   3.140  -1.220  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -0.574   3.375   0.153  0.00  0.00    +0.007 C 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  12
ATOM     12  C   LIG    1       -2.719  -2.247  -1.255  0.00  0.00    -0.007 C 
ATOM     13  C   LIG    1       -2.359  -1.958  -2.733  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -2.537  -3.769  -1.043  0.00  0.00    +0.016 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -4.249  -1.955  -1.068  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -4.778  -2.165   0.349  0.00  0.00    +0.005 C 
ENDBRANCH  12  15
ENDBRANCH   3  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.010  -1.260   2.189  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        2.300  -0.885   2.056  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        0.558  -2.141   3.324  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.860  -0.068   0.995  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        4.157   0.277   0.950  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.806   1.094  -0.082  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        6.140   1.276   0.002  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        3.921   1.683  -1.153  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        6.996   2.032  -0.931  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        6.714   2.529  -2.001  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        8.241   2.111  -0.429  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        8.730   2.620  -1.108  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   5  17
BRANCH   4  29
ATOM     29  O   LIG    1       -0.312  -3.041   0.352  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1        0.839  -3.164  -0.488  0.00  0.00    +0.277 C 
ENDBRANCH   4  29
TORSDOF 10