REMARK  Name = BDB062500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.797   0.572  -0.918  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.485   0.333  -0.495  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        0.605   0.640  -1.315  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        0.386   1.205  -2.574  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -0.918   1.467  -3.005  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.998   1.154  -2.174  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.099  -0.212  -0.410  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -2.907   0.256  -0.006  0.00  0.00    +0.009 C 
BRANCH   7  12
ATOM      9  C   LIG    1       -7.389  -1.158   2.174  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -6.084  -1.461   2.566  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.999  -1.153   1.739  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -5.204  -0.527   0.506  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -6.516  -0.240   0.109  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -7.602  -0.548   0.939  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.700  -1.216   2.726  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.354  -1.511   3.076  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  O   LIG    1       -1.271   2.025  -4.204  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -0.220   2.374  -5.095  0.00  0.00    +0.277 C 
ENDBRANCH   5  17
BRANCH   3  19
ATOM     19  O   LIG    1        1.823   0.341  -0.766  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.982   0.611  -1.552  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.204   0.235  -0.748  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        4.466   0.863   0.478  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.600   0.531   1.227  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.490  -0.435   0.758  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        6.234  -1.063  -0.463  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.101  -0.733  -1.212  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.630  -0.852   1.388  0.00  0.00    -0.481 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.928  -0.240   2.647  0.00  0.00    +0.349 C 
BRANCH  28  29
ATOM     29  C   LIG    1        9.220  -0.835   3.180  0.00  0.00    +0.343 C 
ATOM     30  O   LIG    1        9.744  -0.499   4.233  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.749  -1.788   2.373  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        9.172  -1.901   1.585  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 11