REMARK  Name = BDB059105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.469  -0.745  -0.374  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.585  -0.618  -1.550  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.073  -0.611  -1.236  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.391   0.464  -0.327  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -0.535   0.868   0.742  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -1.017  -0.310   1.587  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -1.911  -1.310   0.853  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.761   0.636  -0.206  0.00  0.00    +0.199 A 
ATOM      9  N   LIG    1        2.208   1.795   0.368  0.00  0.00    -0.295 N 
ATOM     10  H   LIG    1        1.556   2.522   0.601  0.00  0.00    +0.172 HD
ATOM     11  C   LIG    1        3.526   2.118   0.491  0.00  0.00    +0.256 A 
ATOM     12  O   LIG    1        3.895   3.201   0.933  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.473   1.080   0.048  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        5.939   1.331   0.232  0.00  0.00    +0.042 C 
ATOM     15  C   LIG    1        6.785   0.072   0.030  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        6.301  -0.726  -1.175  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1        4.836  -1.139  -1.010  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        3.947  -0.029  -0.496  0.00  0.00    +0.053 A 
ATOM     19  N   LIG    1        2.600  -0.253  -0.646  0.00  0.00    -0.220 NA
ENDBRANCH   4   8
BRANCH   1  21
ATOM     20  C   LIG    1       -4.665  -0.031   0.539  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -3.848  -0.550  -0.503  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.491  -0.861  -1.719  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.868  -0.702  -1.899  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.648  -0.216  -0.862  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.050   0.121   0.351  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.816   0.874   2.756  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.027   0.358   1.695  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH   1  21
TORSDOF 3