REMARK  Name = BDB022870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.949   0.907  -3.478  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.260   0.793  -1.979  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.185  -0.606  -1.518  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.260  -1.455  -1.285  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.093  -2.674  -1.188  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.152  -1.216  -1.517  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.277  -0.268  -1.157  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.041   1.085  -0.997  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.141   1.838  -0.660  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.378   1.330  -0.521  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.524   0.015  -0.720  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.512  -0.805  -1.030  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.328   1.673  -1.127  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.664  -0.858  -1.172  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.543  -1.680  -0.188  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -6.047  -1.624  -0.570  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -6.394  -0.353  -1.219  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.839  -0.202  -1.365  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.713  -0.196  -2.510  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.321  -0.833  -2.554  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.255  -1.246   1.248  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.837  -0.100   1.810  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.532   0.286   3.117  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.634  -0.462   3.876  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.039  -1.595   3.327  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.345  -1.983   2.022  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.757  -0.598  -0.612  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        4.560  -1.591  -0.548  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.750  -0.108   0.337  0.00  0.00    +0.073 C 
ATOM     30  C   LIG    1        5.213   0.032   1.764  0.00  0.00    +0.022 C 
ATOM     31  C   LIG    1        6.324   0.371   2.763  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        7.470   1.203   2.161  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        8.122   2.080   3.228  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        6.988   2.040   0.973  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        6.469   1.155  -0.164  0.00  0.00    +0.022 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4