REMARK  Name = BDB035858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.299  -2.712   0.155  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -0.981  -3.420  -0.045  0.00  0.00    +0.075 C 
ATOM      3  C   LIG    1       -2.149  -2.505  -0.513  0.00  0.00    +0.124 C 
ATOM      4  N   LIG    1       -2.316  -1.286   0.319  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.098  -0.745   0.974  0.00  0.00    +0.124 C 
ATOM      6  C   LIG    1       -1.238  -3.928   1.380  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -0.603  -2.865   2.276  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.033  -1.832   1.294  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.346  -0.395  -0.016  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.384  -0.710  -0.908  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.412   0.101  -1.267  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -5.446   1.324  -0.699  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -4.493   1.756   0.210  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -3.450   0.886   0.548  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -6.582   2.218  -1.096  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -7.148   2.962  -0.070  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.967   2.671   0.882  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -8.334   3.743  -0.317  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -6.980   2.266  -2.255  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   4   9
BRANCH   1  20
ATOM     20  C   LIG    1        0.800  -2.038  -1.042  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.301   1.403  -0.444  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.218   2.327  -0.917  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        5.427   3.516  -1.135  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        3.971   1.786  -1.100  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        3.256   2.423  -1.422  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        3.682   0.435  -0.876  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.688  -0.429  -0.449  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.497  -1.743  -0.212  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.241  -2.210  -0.410  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.164  -1.428  -0.834  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        2.403  -0.070  -1.075  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.030   0.101  -0.240  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        7.793   2.772   1.045  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.673   1.990  -0.255  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5