REMARK  Name = BDB017379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.037  -0.728  -0.176  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1       -0.567  -0.707  -0.614  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        0.034   0.360  -0.782  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.068  -1.913  -0.763  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.681  -3.132  -0.933  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.098  -3.911  -1.983  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.536  -3.534  -1.674  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.974  -2.836  -1.419  0.00  0.00    -0.356 OA
ATOM      9  C   LIG    1        1.438  -2.051  -1.284  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -2.703  -2.078  -0.453  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.933   0.833  -0.441  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1       -2.695   0.393  -0.851  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1       -2.092   1.038  -1.354  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -4.589   0.242   0.415  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.412   2.127  -1.134  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1       -3.759   3.326  -0.450  0.00  0.00    +0.034 C 
BRANCH  15  18
ATOM     17  C   LIG    1       -6.565   1.365  -1.962  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1       -5.880   2.263  -1.040  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -6.150   2.007  -0.085  0.00  0.00    +0.122 HD
ENDBRANCH  15  18
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        2.556  -1.661  -0.282  0.00  0.00    +0.238 C 
ATOM     21  N   LIG    1        2.442  -0.364   0.184  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.654   0.173  -0.182  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.481  -2.429  -0.027  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.279   0.316   1.089  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.948   1.641   1.387  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        3.726   2.385   2.280  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.846   1.818   2.889  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        5.178   0.497   2.595  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.398  -0.250   1.700  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  O   LIG    1        5.519   2.650   3.739  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        6.674   2.118   4.375  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 6