REMARK  Name = BDB035121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.643  -2.602  -1.240  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.352  -2.894  -0.206  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.487  -1.843  -0.084  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -1.908  -1.347  -1.396  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -0.786  -0.749  -2.143  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1        0.630  -1.222  -1.715  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.131  -0.532  -1.435  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1       -4.400  -1.399  -1.205  0.00  0.00    +0.166 C 
ATOM      9  N   LIG    1       -5.646  -0.612  -1.078  0.00  0.00    -0.267 NA
ATOM     10  C   LIG    1       -5.530   0.531  -0.500  0.00  0.00    +0.121 C 
ATOM     11  C   LIG    1       -4.278   1.139  -0.003  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -3.133   0.641  -0.490  0.00  0.00    -0.003 C 
BRANCH  10  13
ATOM     13  N   LIG    1       -6.710   1.210  -0.349  0.00  0.00    -0.254 N 
ATOM     14  H   LIG    1       -7.481   0.712  -0.763  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -6.980   2.495   0.090  0.00  0.00    +0.305 C 
ATOM     16  N   LIG    1       -8.343   2.716   0.163  0.00  0.00    -0.302 N 
ATOM     17  H   LIG    1       -8.905   1.905   0.375  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1       -8.832   3.981   0.655  0.00  0.00    +0.129 C 
ATOM     19  O   LIG    1       -6.150   3.352   0.364  0.00  0.00    -0.252 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.950  -3.216  -1.063  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        5.489   0.873   1.077  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        4.106   1.069   1.694  0.00  0.00    +0.217 C 
ATOM     23  O   LIG    1        3.527   2.149   1.759  0.00  0.00    -0.275 OA
ATOM     24  N   LIG    1        3.549  -0.019   2.310  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1        2.656   0.196   2.737  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        3.790  -1.391   1.914  0.00  0.00    +0.121 C 
ATOM     27  C   LIG    1        5.188  -1.615   1.305  0.00  0.00    +0.130 C 
ATOM     28  N   LIG    1        5.312  -2.893   0.580  0.00  0.00    -0.286 NA
ATOM     29  C   LIG    1        4.253  -3.318  -0.018  0.00  0.00    +0.110 C 
ATOM     30  C   LIG    1        2.898  -2.695  -0.013  0.00  0.00    -0.018 C 
ATOM     31  C   LIG    1        2.698  -1.788   0.958  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        5.563  -0.473   0.352  0.00  0.00    +0.041 C 
BRANCH  21  34
ATOM     33  C   LIG    1        6.314   3.278   0.842  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        5.863   2.015   0.117  0.00  0.00    +0.009 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5