REMARK  Name = BDB059445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504   0.644   2.558  0.00  0.00    -0.017 C 
ATOM      2  C   LIG    1       -0.214   0.484   2.887  0.00  0.00    +0.003 C 
ATOM      3  C   LIG    1        0.941  -0.148   2.156  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1        2.026  -0.177   3.204  0.00  0.00    -0.015 C 
ATOM      5  C   LIG    1        1.687   0.419   4.353  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.301   0.893   4.225  0.00  0.00    +0.182 C 
ATOM      7  O   LIG    1       -0.313   1.494   5.087  0.00  0.00    -0.288 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.162   0.189   1.281  0.00  0.00    +0.059 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.297  -0.819   1.536  0.00  0.00    +0.118 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -4.418  -0.177   2.142  0.00  0.00    -0.391 OA
ATOM     11  H   LIG    1       -4.157   0.087   3.041  0.00  0.00    +0.210 HD
ENDBRANCH   9  10
BRANCH   9  12
ATOM     12  C   LIG    1       -3.768  -1.530   0.257  0.00  0.00    +0.031 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.101  -0.650  -0.958  0.00  0.00    +0.002 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.273   0.309  -0.742  0.00  0.00    -0.000 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.227   0.258  -3.112  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.639   1.108  -1.996  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        1.382   0.665   0.921  0.00  0.00    +0.039 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.424  -0.050   0.099  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1        3.661   0.424  -0.117  0.00  0.00    -0.031 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.700  -0.288  -0.937  0.00  0.00    +0.027 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.103   0.543  -2.159  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.116  -0.176  -3.043  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.450  -0.321  -2.368  0.00  0.00    +0.305 C 
ATOM     24  O   LIG    1        7.884  -1.332  -1.844  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.163   0.820  -2.368  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        8.993   0.586  -1.903  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 14