REMARK  Name = BDB037077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.189   0.533   0.454  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.360   0.485  -0.658  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.674   0.436  -1.831  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.981   0.482  -0.160  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.023   0.437   1.231  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.151   0.419   1.963  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.374   0.456   1.269  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -2.662   0.435   2.041  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -3.811   0.912   1.165  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1       -3.781   0.219  -0.210  0.00  0.00    +0.113 C 
ATOM     11  C   LIG    1       -4.876   0.823  -1.121  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1       -6.191   0.062  -1.008  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1       -6.076  -1.347  -1.382  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -6.422  -1.487  -2.332  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.715  -1.878  -1.292  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.967  -1.313  -0.088  0.00  0.00    +0.063 C 
ATOM     17  O   LIG    1       -2.536   0.498  -0.889  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -1.389   0.480  -0.142  0.00  0.00    +0.125 A 
ATOM     19  C   LIG    1       -0.201   0.504  -0.872  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        2.439   0.391   1.695  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        8.277  -0.890  -1.110  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        7.172  -0.511  -0.733  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        6.194  -1.412  -0.395  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.433  -2.388  -0.506  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.976  -1.156   0.193  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        4.278  -2.083   0.604  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.632   0.326   0.412  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        5.352   1.202  -0.612  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.849   0.951  -0.527  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1