REMARK  Name = BDB035112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.920   0.083   1.039  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1       -0.002  -1.008   0.634  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.475  -0.798   1.048  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.009   0.430   0.438  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.045   1.528   0.236  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.192   1.368   1.152  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.368   0.630   0.267  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.349  -0.171   0.872  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.695  -0.036   0.735  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        6.110   0.977  -0.069  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.245   1.833  -0.729  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.871   1.649  -0.553  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.590   1.135  -0.232  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        8.331   0.194   0.455  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        7.800  -0.487   0.992  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        8.066   2.029  -0.924  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        9.753   0.161   0.450  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       10.493  -1.119   0.726  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       10.500  -0.532  -0.655  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.080   0.196   0.137  0.00  0.00    +0.093 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -7.488  -0.252  -0.405  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -7.200  -0.914  -1.716  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1       -7.832  -0.659  -2.733  0.00  0.00    -0.271 OA
ATOM     24  N   LIG    1       -6.189  -1.837  -1.731  0.00  0.00    -0.306 N 
ATOM     25  H   LIG    1       -5.989  -2.213  -2.649  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -5.193  -1.932  -0.675  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -5.827  -1.762   0.718  0.00  0.00    +0.148 C 
ATOM     28  N   LIG    1       -4.874  -1.475   1.792  0.00  0.00    -0.286 NA
ATOM     29  C   LIG    1       -3.658  -1.139   1.543  0.00  0.00    +0.083 C 
ATOM     30  C   LIG    1       -3.025  -1.021   0.178  0.00  0.00    +0.046 C 
ATOM     31  C   LIG    1       -4.096  -0.891  -0.899  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1       -6.870  -0.678   0.714  0.00  0.00    +0.010 C 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.016   2.138  -0.970  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.537   0.827  -0.397  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 6