REMARK  Name = BDB051762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.821  -1.370   0.144  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.596   0.096   0.536  0.00  0.00    +0.047 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.806   0.576   0.175  0.00  0.00    +0.263 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.766  -0.167   0.926  0.00  0.00    -0.394 OA
BRANCH   4   6
ATOM      5  C   LIG    1        3.972  -0.365   1.226  0.00  0.00    +0.084 C 
ATOM      6  N   LIG    1        3.047   0.275   0.569  0.00  0.00    -0.089 NA
ATOM      7  C   LIG    1        3.665  -1.461   2.228  0.00  0.00    +0.069 C 
BRANCH   5  13
ATOM      8  C   LIG    1        7.096   0.870  -0.522  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        8.065   0.719   0.487  0.00  0.00    -0.009 A 
ATOM     10  C   LIG    1        9.499   1.098   0.237  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        7.686   0.223   1.742  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        6.360  -0.131   1.995  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        5.400   0.001   0.989  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        5.770   0.511  -0.264  0.00  0.00    +0.055 A 
BRANCH   8  16
ATOM     15  C   LIG    1        6.595   1.592  -2.740  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.554   1.371  -1.714  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   5  13
ENDBRANCH   4   6
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.221  -1.852   0.508  0.00  0.00    +0.263 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.184  -1.093  -0.221  0.00  0.00    -0.394 OA
BRANCH  18  19
ATOM     19  N   LIG    1       -4.465  -1.542   0.125  0.00  0.00    -0.089 NA
ATOM     20  C   LIG    1       -5.398  -0.887  -0.502  0.00  0.00    +0.088 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.178   0.250  -1.429  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -5.633   0.169  -2.748  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -5.449   1.252  -3.608  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.816   2.409  -3.149  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.364   2.487  -1.831  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.546   1.408  -0.967  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -6.838  -1.308  -0.269  0.00  0.00    +0.070 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.210  -1.139   1.199  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -8.662  -1.447   1.428  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -9.482  -1.810   0.603  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.017  -1.274   2.716  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -9.968  -1.509   2.736  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 14