REMARK  Name = BDB047387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.895   0.942  -0.436  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -1.473   0.237  -1.577  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.599   0.853  -2.837  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -2.134   2.142  -2.978  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.548   2.842  -1.826  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.078   4.137  -1.966  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.197   4.729  -3.224  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.789   4.035  -4.359  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.260   2.750  -4.237  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.419   2.234  -0.566  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.715   0.312   0.768  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.541   0.736   1.850  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.414  -0.271   2.994  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.703  -1.726   2.606  0.00  0.00    +0.003 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.382  -3.415   1.788  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.113  -1.942   2.056  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1       -0.872  -1.152  -1.469  0.00  0.00    +0.152 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.353  -1.948  -2.564  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -1.147  -2.872  -2.344  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        0.670  -1.149  -1.508  0.00  0.00    +0.063 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.318  -0.622  -0.255  0.00  0.00    -0.028 C 
ATOM     22  C   LIG    1        2.113  -1.347   0.546  0.00  0.00    -0.031 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.751  -0.808   1.795  0.00  0.00    +0.027 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.279  -0.802   1.722  0.00  0.00    +0.015 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.817   0.157   0.664  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.321   0.217   0.725  0.00  0.00    +0.307 C 
ATOM     27  O   LIG    1        6.951   1.079   1.322  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.866  -0.829   0.046  0.00  0.00    -0.468 OA
ATOM     29  C   LIG    1        8.294  -0.849   0.062  0.00  0.00    +0.280 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14