REMARK  Name = BDB027887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.754  -0.116   1.033  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.223  -1.101   0.200  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.148  -1.138  -0.077  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.021  -0.181   0.463  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.475   0.813   1.289  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.104   0.849   1.567  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.464  -0.220   0.172  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.216  -1.386   0.394  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.586  -1.423   0.119  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.227  -0.295  -0.385  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.501   0.871  -0.613  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.131   0.907  -0.336  0.00  0.00    +0.008 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  N   LIG    1       -2.148  -0.060   1.256  0.00  0.00    -0.333 N 
ATOM     14  H   LIG    1       -2.278   0.261   2.223  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -6.435  -1.015  -0.337  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.379  -0.399  -0.214  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -5.295   0.691   0.615  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -6.140   0.920   1.119  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -4.153   1.325   1.038  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -4.187   2.113   1.984  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.833   0.913   0.368  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -3.125   0.328  -1.013  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.111  -0.826  -0.911  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3