REMARK  Name = BDB028282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.876  -0.317   0.894  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.732   0.298   0.173  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.951   1.529  -0.436  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.920   2.169  -1.130  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.661   1.570  -1.211  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.413   0.326  -0.606  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.280   2.152  -0.343  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.515   3.235  -0.866  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.228   1.450   0.359  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.152   1.865   0.435  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.466  -0.302   0.088  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.048   0.247   0.969  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.914  -0.299  -0.691  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.069   0.379  -0.265  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.314  -0.271  -0.364  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.311  -1.559  -0.888  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        4.600  -2.011  -0.904  0.00  0.00    -0.345 N 
ATOM     18  H   LIG    1        4.869  -2.923  -1.243  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.434  -1.049  -0.400  0.00  0.00    +0.091 A 
ATOM     20  N   LIG    1        2.254  -2.270  -1.315  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.671   0.055  -0.050  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.085  -1.592  -1.198  0.00  0.00    +0.121 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.181   1.327   0.536  0.00  0.00    +0.193 C 
BRANCH  23  24
ATOM     24  O   LIG    1        5.996   1.090   1.679  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        5.528   0.427   2.215  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -3.662  -1.672   1.578  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.893  -2.134   2.231  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -5.633  -2.142   1.524  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -5.198  -1.395   2.871  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5