REMARK  Name = BDB062496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.349  -1.189   0.267  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -1.263  -0.357   0.559  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.049  -0.840   0.515  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        0.280  -2.182   0.202  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -0.794  -3.031  -0.074  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -2.100  -2.531  -0.038  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.138   0.502  -0.068  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -3.742  -0.720   0.326  0.00  0.00    +0.009 C 
BRANCH   7  12
ATOM      9  C   LIG    1       -8.169   1.962   0.066  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -7.918   0.636  -0.290  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.611   0.141  -0.333  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -5.530   0.967  -0.008  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -5.785   2.301   0.333  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -7.095   2.796   0.375  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.796   3.655   0.431  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -9.490   2.315   0.068  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  O   LIG    1       -0.708  -4.361  -0.387  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        0.592  -4.935  -0.431  0.00  0.00    +0.277 C 
ENDBRANCH   5  17
BRANCH   3  19
ATOM     19  O   LIG    1        1.002   0.092   0.825  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.372  -0.211   0.560  0.00  0.00    +0.229 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.033  -0.809   1.798  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.472  -1.283   1.582  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.469  -0.169   1.243  0.00  0.00    +0.000 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.719  -0.024  -0.261  0.00  0.00    +0.001 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.722   1.095  -0.549  0.00  0.00    +0.011 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.983   1.236  -2.044  0.00  0.00    +0.120 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.932   2.374  -2.317  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        7.579   3.486  -2.677  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.228   2.054  -2.106  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        9.366   1.133  -1.815  0.00  0.00    +0.295 HD
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   3  19
TORSDOF 14