Current Dev State

This commit is contained in:
Tim Lorsbach
2025-06-23 20:13:54 +02:00
parent b4f9bb277d
commit ded50edaa2
22617 changed files with 4345095 additions and 174 deletions

View File

@ -0,0 +1,95 @@
Ketcher 07151621232D 1 1.00000 0.00000 0
43 47 0 1 0 999 V2000
9.2254 -6.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2254 -7.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7965 -7.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6790 -8.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0249 -8.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0839 -9.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7172 -8.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1732 -7.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7762 -6.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3817 -5.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5926 -4.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7101 -5.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7238 -5.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2670 -4.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0008 -6.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4303 -5.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3440 -6.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1675 -5.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5893 -4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3576 -7.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1527 -8.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5473 -9.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9243 -10.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5336 -9.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4467 -7.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4467 -8.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5954 -8.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5954 -9.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7233 -8.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8823 -8.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8823 -9.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0413 -10.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -9.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -8.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0413 -8.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6265 -7.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6265 -6.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7959 -7.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0074 -8.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8101 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8342 -5.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4085 -4.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2320 -5.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0
3 2 1 0 0 0
4 3 1 0 0 0
4 5 1 6 0 0
5 6 1 0 0 0
6 4 1 0 0 0
7 4 1 0 0 0
8 7 1 0 0 0
8 9 1 0 0 0
9 10 1 0 0 0
10 11 1 0 0 0
11 12 2 0 0 0
12 13 1 0 0 0
13 1 1 0 0 0
14 13 2 0 0 0
15 12 1 0 0 0
16 10 1 0 0 0
17 16 1 0 0 0
18 16 1 0 0 0
9 16 1 0 0 0
10 19 1 6 0 0
9 20 1 6 0 0
3 21 1 1 0 0
22 21 1 0 0 0
23 22 2 0 0 0
24 22 1 0 0 0
25 2 1 0 0 0
25 26 1 1 0 0
27 26 1 0 0 0
28 27 2 0 0 0
29 27 1 0 0 0
30 29 1 0 0 0
31 30 2 0 0 0
32 31 1 0 0 0
33 32 2 0 0 0
33 34 1 0 0 0
34 35 2 0 0 0
35 30 1 0 0 0
25 36 1 0 0 0
36 37 1 0 0 0
37 1 1 0 0 0
36 38 1 1 0 0
2 39 1 6 0 0
1 40 1 1 0 0
41 40 1 0 0 0
42 41 2 0 0 0
43 41 1 0 0 0
M END