REMARK  Name = BDB028362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.002  -0.791  -0.178  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1       -3.127  -1.586  -0.226  0.00  0.00    -0.238 N 
ATOM      3  N   LIG    1       -3.009  -2.649  -1.060  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1       -1.782  -2.514  -1.566  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -1.102  -1.392  -1.047  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1        0.224  -0.894  -1.349  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        1.186  -0.780  -0.335  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        2.462  -0.283  -0.627  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.764   0.109  -1.929  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        4.095   0.666  -2.220  0.00  0.00    +0.272 A 
ATOM     11  N   LIG    1        4.952   0.773  -1.152  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        5.875   1.157  -1.334  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1        4.698   0.377   0.125  0.00  0.00    -0.174 NA
ATOM     14  O   LIG    1        4.409   1.016  -3.352  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1        1.812  -0.010  -2.948  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.533  -0.137   0.391  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        0.544  -0.517  -2.657  0.00  0.00    +0.009 A 
BRANCH  16  18
ATOM     18  C   LIG    1        3.288  -0.596   1.826  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.487   0.411   2.526  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1        2.449   0.166   3.516  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        2.993   1.299   2.489  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5   6
BRANCH   1  23
ATOM     22  C   LIG    1       -1.962   1.715   0.021  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -1.898   0.439   0.611  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.702   0.336   1.997  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -1.582   1.482   2.785  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.653   2.743   2.199  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -1.842   2.861   0.821  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1       -2.329   2.036  -2.530  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1       -2.159   1.885  -1.392  0.00  0.00    +0.100 C 
ENDBRANCH  22  29
ENDBRANCH   1  23
BRANCH   2  30
ATOM     30  C   LIG    1       -4.401  -1.371   0.457  0.00  0.00    +0.300 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -5.221  -2.535   0.342  0.00  0.00    -0.373 OA
ATOM     32  H   LIG    1       -4.786  -3.071  -0.359  0.00  0.00    +0.212 HD
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 7