?? frag_35.mol2
字號:
# Name: F_2
# Creating user name: tang
# Creation time: Tue Aug 27 07:58:47 1996
# Modifying user name: arthur
# Modification time: Thu Jan 15 16:52:53 1998
@<TRIPOS>MOLECULE
benzene
12 12 1 1 2
SMALL
GAST_HUCK
@<TRIPOS>ATOM
1 C1 1.3981 0.0000 0.0000 C.ar 1 BENZENE -0.0618
2 C2 0.6991 1.2108 0.0000 C.ar 1 BENZENE -0.0618
3 C3 -0.6991 1.2108 0.0000 C.ar 1 BENZENE -0.0618
4 C4 -1.3981 0.0000 0.0000 C.ar 1 BENZENE -0.0618
5 C5 -0.6991 -1.2108 0.0000 C.ar 1 BENZENE -0.0618
6 C6 0.6991 -1.2108 0.0000 C.ar 1 BENZENE -0.0618
7 H1 2.4838 0.0000 0.0000 H.spc 1 BENZENE 0.0618
8 H2 1.2419 2.1510 0.0000 H.spc 1 BENZENE 0.0618
9 H3 -1.2419 2.1510 0.0000 H.spc 1 BENZENE 0.0618
10 H4 -2.4838 0.0000 0.0000 H.spc 1 BENZENE 0.0618
11 H5 -1.2419 -2.1510 0.0000 H.spc 1 BENZENE 0.0618
12 H6 1.2419 -2.1510 0.0000 H.spc 1 BENZENE 0.0618
@<TRIPOS>BOND
1 1 2 ar
2 1 6 ar
3 2 3 ar
4 3 4 ar
5 4 5 ar
6 5 6 ar
7 1 7 1
8 2 8 1
9 3 9 1
10 4 10 1
11 5 11 1
12 6 12 1
@<TRIPOS>SUBSTRUCTURE
1 BENZENE 1 PERM 0 **** **** 0 ROOT
@<TRIPOS>SET
ATOM$BY_TYPE STATIC ATOMS COLORGROUP SYSTEM
12 1 2 3 4 5 6 7 8 9 10 11 12
LINK_HS STATIC ATOMS <user> ****
2 7 10
@<TRIPOS>NORMAL
@<TRIPOS>FF_PBC
FORCE_FIELD_SETUP_FEATURE Force Field Setup information
v1.0 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 NONE 2 0 0 0 0 0 0 0 0 0 0 0 0
?? 快捷鍵說明
復(fù)制代碼
Ctrl + C
搜索代碼
Ctrl + F
全屏模式
F11
切換主題
Ctrl + Shift + D
顯示快捷鍵
?
增大字號
Ctrl + =
減小字號
Ctrl + -