REMARK  Name = BDB061162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.050   2.155  -0.465  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        0.222   1.736  -0.469  0.00  0.00    +0.176 C 
ATOM      3  C   LIG    1        1.369   2.640  -0.757  0.00  0.00    +0.231 C 
ATOM      4  O   LIG    1        1.366   3.820  -1.031  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        2.520   1.756  -0.630  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        2.038   0.495  -0.301  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        2.896  -0.566  -0.112  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1        4.273  -0.341  -0.262  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        4.750   0.946  -0.590  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.866   2.015  -0.780  0.00  0.00    +0.019 A 
ATOM     11  O   LIG    1        0.667   0.448  -0.196  0.00  0.00    -0.451 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -3.630  -2.116  -1.019  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1       -3.517  -0.736  -0.438  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1       -4.541  -0.170   0.336  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.399   1.104   0.909  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1       -5.470   1.691   1.783  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -3.244   1.847   0.625  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -2.222   1.319  -0.174  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1       -2.374   0.033  -0.709  0.00  0.00    +0.015 A 
BRANCH  14  20
ATOM     20  O   LIG    1       -5.678  -0.891   0.597  0.00  0.00    -0.480 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -6.652  -0.671  -0.425  0.00  0.00    +0.349 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -8.026  -1.075   0.066  0.00  0.00    +0.343 C 
ATOM     23  O   LIG    1       -8.839  -1.746  -0.551  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -8.343  -0.569   1.276  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1       -9.239  -0.921   1.457  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  18
BRANCH   8  26
ATOM     26  O   LIG    1        5.041  -1.453  -0.049  0.00  0.00    -0.492 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.446  -1.391  -0.300  0.00  0.00    +0.232 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.175  -0.960   0.937  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1        8.593  -1.409   1.183  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        7.476  -1.953   2.030  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 8