REMARK  Name = BDB026672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.716   0.457  -0.214  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.505  -0.907  -0.455  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.200  -1.416  -0.374  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.779  -2.705  -0.522  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1        0.468  -2.679  -0.373  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        0.012  -1.395  -0.085  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1        1.133  -0.566  -0.096  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.332   0.802   0.164  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.640   1.299   0.086  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.327  -0.988   0.177  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.816   0.205  -0.374  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.130   0.615  -0.111  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.715   1.830  -0.777  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -4.797   2.462   0.082  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -5.782   1.438   0.598  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -5.267   0.218   0.945  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -5.909  -0.412   1.409  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -6.965   1.705   0.793  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.951  -0.178   0.696  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.477  -1.373   1.232  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.163  -1.776   0.979  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        6.770   2.529   0.599  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.417   2.040   0.518  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        4.797   2.249   1.289  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.109   0.973  -0.303  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.919   0.436  -1.049  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -0.394  -3.873  -0.589  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -0.352  -4.640   0.609  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1        0.595  -4.818   0.769  0.00  0.00    +0.210 HD
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 4