REMARK  Name = BDB062537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.618   1.227  -1.021  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -4.649   0.153  -1.290  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1       -5.878   0.089  -0.603  0.00  0.00    +0.104 A 
ATOM      4  C   LIG    1       -6.785  -0.943  -0.882  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1       -6.496  -1.906  -1.850  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -5.278  -1.857  -2.523  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.361  -0.841  -2.243  0.00  0.00    +0.004 A 
BRANCH   3   8
ATOM      8  C   LIG    1       -6.223   1.123   0.390  0.00  0.00    +0.341 C 
ATOM      9  O   LIG    1       -6.573   2.249   0.088  0.00  0.00    -0.245 OA
BRANCH   8  10
ATOM     10  O   LIG    1       -6.055   0.692   1.657  0.00  0.00    -0.477 OA
ATOM     11  H   LIG    1       -5.872  -0.275   1.738  0.00  0.00    +0.295 HD
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   4  12
ATOM     12  O   LIG    1       -8.035  -1.038  -0.258  0.00  0.00    -0.425 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -7.956  -1.556   1.029  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1       -6.919  -1.815   1.633  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1       -9.336  -1.704   1.593  0.00  0.00    +0.136 C 
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -2.668   0.826   0.111  0.00  0.00    +0.005 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.673   1.927   0.487  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.731   2.381  -0.632  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.117   1.277  -1.273  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.014   0.491  -0.312  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.021   1.327   0.485  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.999   2.157  -0.353  0.00  0.00    -0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.858   1.366  -1.346  0.00  0.00    -0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.701   0.234  -0.748  0.00  0.00    -0.000 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.727   0.719   0.279  0.00  0.00    -0.000 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.569  -0.415   0.877  0.00  0.00    -0.000 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.493  -1.088  -0.142  0.00  0.00    -0.000 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.826  -3.263   1.150  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        8.488  -2.059   0.497  0.00  0.00    -0.003 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 18