REMARK  Name = BDB027743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.427   0.946   0.252  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.433   2.348   0.121  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.189   2.933  -0.115  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.175   4.315  -0.236  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.255   5.136  -0.153  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.441   4.541   0.056  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.944   2.226  -0.227  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        0.848   0.892  -0.116  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -2.582   3.173   0.197  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.297   0.234   0.120  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.087   0.096  -0.253  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.061  -1.314  -0.165  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.247  -2.060  -0.297  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.444  -1.395  -0.516  0.00  0.00    +0.066 A 
ATOM     15  N   LIG    1        5.394  -2.379  -0.600  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1        6.389  -2.266  -0.756  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1        4.909  -3.625  -0.452  0.00  0.00    -0.181 NA
ATOM     18  C   LIG    1        4.532  -0.006  -0.613  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        3.601  -3.427  -0.269  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1        3.335   0.715  -0.478  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.665   0.293   0.526  0.00  0.00    -0.323 N 
ATOM     22  H   LIG    1       -3.059   0.732   1.355  0.00  0.00    +0.148 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -4.395  -1.490   0.620  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -2.921  -1.170   0.474  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -1.959  -2.158   1.087  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1       -2.134  -2.108  -0.407  0.00  0.00    +0.027 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 3