REMARK  Name = BDB028354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.797   0.289  -0.643  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.532   0.482   0.111  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.478   1.549   1.001  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.318   1.795   1.742  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.207   0.964   1.588  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.236  -0.123   0.699  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.654   2.420   1.155  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.648   3.371   1.928  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.745   2.101   0.384  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.566   2.692   0.475  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.414  -0.352  -0.039  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.831   1.068  -0.497  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.063  -0.993   0.537  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.192  -0.467   0.192  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.282  -1.348   0.045  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        2.031  -2.700   0.248  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        3.197  -3.382   0.047  0.00  0.00    -0.345 N 
ATOM     18  H   LIG    1        3.281  -4.384   0.137  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        4.199  -2.505  -0.285  0.00  0.00    +0.093 A 
ATOM     20  N   LIG    1        0.864  -3.277   0.583  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        3.666  -1.228  -0.292  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -0.144  -2.379   0.718  0.00  0.00    +0.121 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.455  -0.043  -0.584  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        5.270   0.009  -1.722  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.021   1.153  -2.002  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.964   2.252  -1.145  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.157   2.208  -0.009  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.405   1.065   0.271  0.00  0.00    +0.008 A 
ENDBRANCH  21  23
ENDBRANCH   6  13
BRANCH   1  29
ATOM     29  C   LIG    1       -4.884  -0.878  -1.633  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.201  -0.924  -2.279  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -6.365  -0.011  -2.710  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -6.907  -0.956  -1.539  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 4