REMARK  Name = BDB010816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.151   2.708  -0.595  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        0.736   1.386  -0.579  0.00  0.00    -0.321 N 
ATOM      3  C   LIG    1       -0.519   1.348  -0.006  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.775   2.670   0.327  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -1.907   3.108   0.896  0.00  0.00    -0.203 NA
ATOM      6  C   LIG    1       -2.785   2.116   1.091  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.636   0.810   0.802  0.00  0.00    -0.208 NA
ATOM      8  C   LIG    1       -1.485   0.377   0.250  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        0.259   3.489  -0.012  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.069   2.522   1.704  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -4.274   3.815   2.004  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -3.638   4.582   1.858  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -5.498   3.902   2.540  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1       -6.037   4.922   2.937  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1       -6.050   2.645   2.569  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1       -5.071   1.761   2.007  0.00  0.00    -0.051 NA
ENDBRANCH   6  10
BRANCH   1  18
ATOM     17  C   LIG    1        2.187   3.896  -2.530  0.00  0.00    +0.046 C 
ATOM     18  C   LIG    1        2.430   3.210  -1.195  0.00  0.00    +0.177 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.964   4.161  -0.276  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        2.193   4.653   0.072  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -1.305  -0.973  -0.041  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.397  -1.277   0.287  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.384  -1.902   0.340  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -1.764  -3.292   0.513  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.499  -1.885  -0.716  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.638  -2.944  -0.686  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.693  -2.815  -2.224  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -3.216  -2.367  -2.168  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  29
ATOM     29  C   LIG    1        1.471   0.276  -1.164  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.630  -0.244  -0.290  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        3.547  -1.159  -1.125  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        4.237  -2.259  -0.315  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        4.588  -1.841   1.116  0.00  0.00    -0.014 C 
ATOM     34  C   LIG    1        5.721  -0.810   1.136  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        3.350  -1.335   1.879  0.00  0.00    +0.003 C 
ATOM     36  C   LIG    1        2.166  -0.962   0.980  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 8