REMARK  Name = BDB012885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.397   1.531   0.015  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.049   1.038  -0.139  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.869   2.236  -0.049  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.175   2.421  -0.469  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.644   3.558  -0.540  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.057   3.386   0.318  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        1.231   2.793   0.862  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.987   1.286  -0.838  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -4.170   1.483  -1.505  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -4.563   2.377  -1.785  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -4.835   0.356  -1.803  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -4.082  -0.612  -1.273  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -2.924  -0.081  -0.652  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.493  -2.055  -1.364  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.817  -2.316  -0.644  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.564  -2.535  -2.815  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1        3.647   0.677   0.499  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1        2.284   0.565   0.628  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.933  -0.044   1.356  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        4.217   1.481  -0.224  0.00  0.00    -0.275 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.432  -0.298   1.331  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        4.160  -0.377   2.829  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        5.395   0.314   2.343  0.00  0.00    +0.017 C 
BRANCH  21  25
ATOM     24  C   LIG    1        3.764  -2.481   0.250  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.913  -1.559   0.631  0.00  0.00    +0.013 C 
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5