REMARK  Name = BDB063228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.044   0.450  -0.373  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -4.519   1.531   0.398  0.00  0.00    +0.276 A 
ATOM      3  O   LIG    1       -5.700   1.857   0.480  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -3.472   2.234   1.098  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.136   1.905   1.049  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.426   2.818   1.855  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.362   3.688   2.383  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.730   0.788   0.253  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -3.604   3.323   1.917  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -4.484   3.775   2.134  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.685   0.103  -0.420  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.340   0.309   0.130  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1        0.397   0.559  -1.037  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        1.712   0.102  -1.150  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.299  -0.595  -0.088  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        1.563  -0.868   1.069  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        0.249  -0.408   1.180  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  C   LIG    1        3.683  -1.108  -0.189  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        4.705  -0.225  -0.516  0.00  0.00    -0.293 N 
ATOM     20  C   LIG    1        4.609   1.239  -0.458  0.00  0.00    +0.136 C 
ATOM     21  C   LIG    1        5.945   1.861  -0.035  0.00  0.00    +0.179 C 
ATOM     22  O   LIG    1        7.031   1.522  -0.906  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        6.926   0.217  -1.494  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1        6.056  -0.756  -0.695  0.00  0.00    +0.136 C 
ATOM     25  O   LIG    1        3.870  -2.304   0.021  0.00  0.00    -0.270 OA
ENDBRANCH  15  18
ENDBRANCH   8  12
BRANCH   1  26
ATOM     26  C   LIG    1       -5.009  -0.351  -1.114  0.00  0.00    +0.152 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -5.468  -4.036   0.118  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -5.108  -2.833  -0.693  0.00  0.00    -0.033 C 
ATOM     29  C   LIG    1       -5.359  -1.571  -0.310  0.00  0.00    -0.010 C 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4