Skip to content

Commit f4878b5

Browse files
aminophenaminophen
committed
Flat directory structure
1 parent f8e506d commit f4878b5

19 files changed

+271
-271
lines changed

‎doc/latex/chemobabel/chemobabel.pdf ‎chemobabel.pdf

File renamed without changes.

‎tex/latex/chemobabel/chemobabel.sty ‎chemobabel.sty

File renamed without changes.

‎doc/latex/chemobabel/chemobabel.tex ‎chemobabel.tex

File renamed without changes.

‎doc/latex/chemobabel/draw/ATP.cdx ‎draw/ATP.cdx

File renamed without changes.

‎doc/latex/chemobabel/draw/Brevetoxin A.mol ‎draw/Brevetoxin A.mol

+195-195
Large diffs are not rendered by default.

‎doc/latex/chemobabel/draw/Firefly luciferin.mol ‎draw/Firefly luciferin.mol

+76-76
Original file line numberDiff line numberDiff line change
@@ -1,76 +1,76 @@
1-
2-
3-
4-
19 21 0 0001 0 0 0 0 0999 V2000
5-
7.7157 -1.3502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0
6-
5.5443 0.2636 0.0000 S 0 0 0 0 0 0 0 0 0 0 0
7-
10.3893 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
8-
9.3712 1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
9-
2.0000 0.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
10-
7.7157 0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0
11-
5.5443 -1.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0
12-
8.6667 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
13-
8.6667 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
14-
7.1279 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
15-
6.1279 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
16-
9.4758 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
17-
4.5981 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
18-
4.5981 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
19-
3.7321 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
20-
3.7321 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
21-
2.8660 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
22-
2.8660 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
23-
7.5241 0.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0
24-
1 9 1 0
25-
1 10 1 0
26-
2 11 1 0
27-
2 13 1 0
28-
3 12 1 0
29-
4 12 2 0
30-
5 17 2 0
31-
6 8 1 0
32-
6 10 1 0
33-
6 19 1 0
34-
7 11 1 0
35-
7 14 2 0
36-
8 9 1 0
37-
8 12 1 1
38-
10 11 2 0
39-
13 14 1 0
40-
13 15 2 0
41-
14 16 1 0
42-
15 17 1 0
43-
16 18 2 0
44-
17 18 1 0
45-
M END
46-
47-
> <PUBCHEM_BONDANNOTATIONS>
48-
13 14 8
49-
2 11 8
50-
2 13 8
51-
7 11 8
52-
7 14 8
53-
8 12 5
54-
55-
> <StdInChI>
56-
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,13H,4H2,(H,15,16)/b10-9+/t7-/m1/s1
57-
58-
> <StdInChIKey>
59-
IWJYWBVPCGUPLO-KOUNZKNHSA-N
60-
61-
> <AuxInfo>
62-
1/1/N:18,16,15,9,17,14,8,13,10,11,12,7,6,5,3,4,1,2/E:(15,16)/it:im/rA:26cSSOOONNCCCCCCCCCCCHHHHHHHH/rB:;;;;;;s6;s1s8;s1s6;s2s7d10;s3d4P8;s2;d7s13;d13;s14;d5s15;d16s17;s8;s9;s9;s6;s15;s16;s18;s3;/rC:7.7157,-1.3502,0;5.5443,.2636,0;10.3893,.1399,0;9.3712,1.5412,0;2,.4588,0;7.7157,.2679,0;5.5443,-1.3459,0;8.6667,-.0412,0;8.6667,-1.0412,0;7.1279,-.5412,0;6.1279,-.5412,0;9.4758,.5466,0;4.5981,-.0412,0;4.5981,-1.0412,0;3.7321,.4588,0;3.7321,-1.5412,0;2.866,-.0412,0;2.866,-1.0412,0;8.5698,.5712,0;8.7957,-1.6476,0;9.2834,-.9763,0;7.5241,.8575,0;3.7321,1.0788,0;3.7321,-2.1612,0;2.3291,-1.3512,0;10.8909,.5043,0;
63-
64-
> <Formula>
65-
C11 H8 N2 O3 S2
66-
67-
> <Mw>
68-
280.3228
69-
70-
> <SMILES>
71-
S1/C(=C2\N=C3C([H])=C([H])C(C([H])=C3S\2)=O)/N([H])[C@@]([H])(C(=O)O[H])C1([H])[H]
72-
73-
> <CSID>
74-
4588411
75-
76-
$$$$
1+
2+
3+
4+
19 21 0 0001 0 0 0 0 0999 V2000
5+
7.7157 -1.3502 0.0000 S 0 0 0 0 0 0 0 0 0 0 0
6+
5.5443 0.2636 0.0000 S 0 0 0 0 0 0 0 0 0 0 0
7+
10.3893 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
8+
9.3712 1.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
9+
2.0000 0.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0
10+
7.7157 0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0
11+
5.5443 -1.3459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0
12+
8.6667 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
13+
8.6667 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
14+
7.1279 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
15+
6.1279 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
16+
9.4758 0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
17+
4.5981 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
18+
4.5981 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
19+
3.7321 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
20+
3.7321 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
21+
2.8660 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
22+
2.8660 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0
23+
7.5241 0.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0
24+
1 9 1 0
25+
1 10 1 0
26+
2 11 1 0
27+
2 13 1 0
28+
3 12 1 0
29+
4 12 2 0
30+
5 17 2 0
31+
6 8 1 0
32+
6 10 1 0
33+
6 19 1 0
34+
7 11 1 0
35+
7 14 2 0
36+
8 9 1 0
37+
8 12 1 1
38+
10 11 2 0
39+
13 14 1 0
40+
13 15 2 0
41+
14 16 1 0
42+
15 17 1 0
43+
16 18 2 0
44+
17 18 1 0
45+
M END
46+
47+
> <PUBCHEM_BONDANNOTATIONS>
48+
13 14 8
49+
2 11 8
50+
2 13 8
51+
7 11 8
52+
7 14 8
53+
8 12 5
54+
55+
> <StdInChI>
56+
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,13H,4H2,(H,15,16)/b10-9+/t7-/m1/s1
57+
58+
> <StdInChIKey>
59+
IWJYWBVPCGUPLO-KOUNZKNHSA-N
60+
61+
> <AuxInfo>
62+
1/1/N:18,16,15,9,17,14,8,13,10,11,12,7,6,5,3,4,1,2/E:(15,16)/it:im/rA:26cSSOOONNCCCCCCCCCCCHHHHHHHH/rB:;;;;;;s6;s1s8;s1s6;s2s7d10;s3d4P8;s2;d7s13;d13;s14;d5s15;d16s17;s8;s9;s9;s6;s15;s16;s18;s3;/rC:7.7157,-1.3502,0;5.5443,.2636,0;10.3893,.1399,0;9.3712,1.5412,0;2,.4588,0;7.7157,.2679,0;5.5443,-1.3459,0;8.6667,-.0412,0;8.6667,-1.0412,0;7.1279,-.5412,0;6.1279,-.5412,0;9.4758,.5466,0;4.5981,-.0412,0;4.5981,-1.0412,0;3.7321,.4588,0;3.7321,-1.5412,0;2.866,-.0412,0;2.866,-1.0412,0;8.5698,.5712,0;8.7957,-1.6476,0;9.2834,-.9763,0;7.5241,.8575,0;3.7321,1.0788,0;3.7321,-2.1612,0;2.3291,-1.3512,0;10.8909,.5043,0;
63+
64+
> <Formula>
65+
C11 H8 N2 O3 S2
66+
67+
> <Mw>
68+
280.3228
69+
70+
> <SMILES>
71+
S1/C(=C2\N=C3C([H])=C([H])C(C([H])=C3S\2)=O)/N([H])[C@@]([H])(C(=O)O[H])C1([H])[H]
72+
73+
> <CSID>
74+
4588411
75+
76+
$$$$

‎doc/latex/chemobabel/draw/Glucose.cdx ‎draw/Glucose.cdx

File renamed without changes.

‎doc/latex/chemobabel/example-en.pdf ‎example-en.pdf

File renamed without changes.

‎doc/latex/chemobabel/example-en.tex ‎example-en.tex

File renamed without changes.

‎doc/latex/chemobabel/example-ja.pdf ‎example-ja.pdf

File renamed without changes.

‎doc/latex/chemobabel/example-ja.tex ‎example-ja.tex

File renamed without changes.

‎doc/latex/chemobabel/figures/Exact-FireflyLuciferin.pdf ‎figures/Exact-FireflyLuciferin.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Mac231-Cephalostatin-1.pdf ‎figures/Mac231-Cephalostatin-1.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Mac231-sesamin-gen2d.pdf ‎figures/Mac231-sesamin-gen2d.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Mac231-sesamin-normal.pdf ‎figures/Mac231-sesamin-normal.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Win232-Cephalostatin-1.pdf ‎figures/Win232-Cephalostatin-1.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Win232-FireflyLuciferin.pdf ‎figures/Win232-FireflyLuciferin.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Win232-sesamin-gen2d.pdf ‎figures/Win232-sesamin-gen2d.pdf

File renamed without changes.

‎doc/latex/chemobabel/figures/Win232-sesamin-normal.pdf ‎figures/Win232-sesamin-normal.pdf

File renamed without changes.

0 commit comments

Comments
 (0)