REMARK  Name = BDB028149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.670   0.015  -0.738  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.346  -0.656  -0.666  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.342  -2.023  -0.409  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.137  -2.726  -0.336  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.927  -2.051  -0.515  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.900  -0.669  -0.764  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.621  -2.720  -0.200  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.663  -3.925   0.023  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.751  -1.943  -0.266  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.643  -2.406  -0.121  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.128   0.018  -0.834  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.794  -0.610  -0.534  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.376   0.041  -0.940  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.423  -0.080  -0.015  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.627   0.602  -0.199  0.00  0.00    +0.139 A 
ATOM     16  C   LIG    1        2.744   1.399  -1.328  0.00  0.00    +0.156 A 
ATOM     17  N   LIG    1        1.767   1.551  -2.253  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.616   0.870  -2.036  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.565   0.403   0.771  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.807   1.093   0.621  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.731   0.779   1.764  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        5.776  -0.589   2.399  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.220   0.580   3.169  0.00  0.00    +0.007 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -4.752   1.505  -1.058  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.414   2.274   0.141  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -5.078   2.024   0.878  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -4.579   3.263  -0.044  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6