REMARK  Name = BDB051410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.469   0.043  -1.015  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.785  -0.121  -1.599  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.710  -1.007  -1.040  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        1.383  -1.742   0.105  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.104  -1.603   0.658  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.821  -0.716   0.099  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.320  -2.701   0.703  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1        3.598  -2.486   1.061  0.00  0.00    +0.008 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.352  -1.229   0.984  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        5.618  -1.230   0.386  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        6.372  -0.056   0.320  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.871   1.127   0.861  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.618   1.135   1.471  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.865  -0.039   1.538  0.00  0.00    +0.008 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -1.327   0.902  -1.644  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.962   1.862  -0.785  0.00  0.00    +0.285 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -1.937   4.238  -1.448  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -1.352   3.230  -1.080  0.00  0.00    +0.346 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.021   3.281  -0.854  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        0.234   4.194  -1.099  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
BRANCH  16  21
ATOM     21  C   LIG    1       -3.465   1.898  -1.107  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.212   0.716  -0.530  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.770   0.786   0.754  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.435  -0.315   1.295  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.545  -1.495   0.561  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.992  -1.575  -0.716  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.328  -0.474  -1.260  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8