REMARK  Name = BDB055602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.631  -2.940   1.310  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.428  -1.683   0.510  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -0.233  -1.459  -0.195  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1       -0.086  -0.286  -0.935  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.109   0.670  -0.961  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -2.304   0.476  -0.256  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -2.446  -0.714   0.474  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -3.376   1.485  -0.284  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -3.912   2.004   0.906  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.928   2.963   0.881  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.428   3.418  -0.336  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.911   2.916  -1.528  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.894   1.958  -1.501  0.00  0.00    +0.008 A 
ENDBRANCH   6   8
BRANCH   3  14
ATOM     14  O   LIG    1        0.700  -2.457  -0.103  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.059  -2.185  -0.499  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.716  -3.549  -0.720  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1        3.901  -3.713  -0.979  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1        1.850  -4.589  -0.620  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        0.953  -4.246  -0.409  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1        2.811  -1.439   0.616  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.443  -0.158   0.121  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        2.901   1.087   0.468  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.477   2.265  -0.008  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.601   2.212  -0.830  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.152   0.979  -1.175  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.577  -0.201  -0.702  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 7