REMARK  Name = BDB026685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.675  -0.891   0.285  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.450   0.489   0.371  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.135   0.968   0.276  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.697   2.259   0.291  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.382   2.207   0.192  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.059   0.889   0.064  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1        1.074   0.080   0.135  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.285  -1.307   0.032  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.603  -1.776   0.123  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.389   0.430  -0.109  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.862  -0.681   0.592  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.175  -1.110   0.384  0.00  0.00    -0.005 A 
ATOM     13  C   LIG    1       -3.786  -2.220   1.187  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -4.890  -2.918   0.410  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -5.837  -1.934  -0.241  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -5.279  -0.786  -0.724  0.00  0.00    -0.270 N 
ATOM     17  H   LIG    1       -5.855  -0.173  -1.283  0.00  0.00    +0.156 HD
ATOM     18  O   LIG    1       -7.026  -2.190  -0.412  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.964  -0.399  -0.516  0.00  0.00    +0.128 A 
ATOM     20  N   LIG    1       -3.536   0.680  -1.193  0.00  0.00    -0.238 NA
ATOM     21  C   LIG    1       -2.256   1.067  -0.987  0.00  0.00    +0.139 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        6.734  -3.001  -0.395  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.376  -2.523  -0.325  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        4.738  -2.819  -1.051  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.077  -1.377   0.386  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.900  -0.754   1.046  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -0.498   3.424   0.343  0.00  0.00    +0.049 C 
ATOM     28  C   LIG    1       -0.315   4.364  -0.850  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -0.170   4.157   1.648  0.00  0.00    +0.015 C 
ENDBRANCH   5  27
TORSDOF 3