REMARK  Name = BDB057727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.087   0.495  -1.356  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.218  -0.464  -0.381  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -1.436  -1.167  -0.379  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -1.666  -2.187   0.697  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -2.395  -0.867  -1.357  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.085   0.015  -2.403  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -3.023   0.277  -3.545  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -0.859   0.703  -2.370  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        1.825   1.981  -0.087  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1        1.398   1.242  -1.344  0.00  0.00    +0.025 C 
ATOM     11  C   LIG    1        1.410   2.756  -1.311  0.00  0.00    +0.015 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.254   1.971   0.400  0.00  0.00    +0.152 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.478   0.738   1.260  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1        3.812  -0.500   0.689  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.987  -1.633   1.487  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.821  -1.555   2.874  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        4.025  -2.761   3.741  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        3.491  -0.323   3.450  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.317   0.811   2.651  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
BRANCH  12  21
ATOM     20  C   LIG    1        5.412   2.579  -0.375  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1        4.159   1.997  -0.711  0.00  0.00    -0.375 OA
ENDBRANCH  12  21
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   5  22
ATOM     22  O   LIG    1       -3.602  -1.516  -1.339  0.00  0.00    -0.475 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.673  -0.808  -0.689  0.00  0.00    +0.200 C 
ATOM     24  C   LIG    1       -5.138  -1.675   0.496  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -5.845  -0.785  -1.689  0.00  0.00    +0.067 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.450   0.649  -0.198  0.00  0.00    +0.348 C 
ATOM     27  O   LIG    1       -4.743   1.675  -0.797  0.00  0.00    -0.247 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.846   0.740   1.007  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1       -3.690   1.700   1.114  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8