mirror of
https://github.com/galaxyproject/galaxy.git
synced 2026-10-29 17:42:12 +08:00
Matthias Bernt
bb9e7f49a1
which had the wrong id: CONVERTER_mol_to_mol2 therefore the test was not executed before
192 lines
8.4 KiB
Plaintext
192 lines
8.4 KiB
Plaintext
Goserelin
|
|
OpenBabel07012114253D
|
|
|
|
91 96 0 0 1 0 0 0 0 0999 V2000
|
|
12.8548 -2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.9726 -2.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.1766 -3.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.2019 -0.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.7800 -1.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.8589 -3.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.3562 1.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.2702 4.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.3500 8.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.8213 4.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.2178 1.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.8960 2.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.1271 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.4834 3.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.1495 -4.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.2402 -2.9784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.2089 -3.2393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.1383 -1.7503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
15.6226 -2.5255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.3806 -6.3890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.2926 0.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.1485 7.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.3338 5.7884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.8613 -1.8132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.1907 1.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.1795 3.7761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.2814 2.5480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.3170 -7.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.6753 -7.7873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.8596 0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.7335 6.3823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.9507 7.4636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.9701 -3.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
14.3043 -4.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
13.6903 -5.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.9766 -4.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.5984 -3.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.7912 -3.5925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
14.3838 -3.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.5349 -4.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.0859 -4.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.8819 -2.5345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
10.4330 -3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.0747 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.8184 -3.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.8295 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.0112 -3.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.3694 -4.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.5873 -1.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.8436 -0.3521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
10.6509 -0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
16.4476 -2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.9756 6.2324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
12.0091 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
8.9979 1.6602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
9.5489 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1242 -7.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.1549 6.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.8848 5.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
4.9232 2.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
1.8207 6.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
9.2542 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.1159 2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.5266 5.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.4348 7.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.6921 5.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.8324 1.9340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
|
|
4.6285 4.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.1793 -1.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
12.8164 -0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.8389 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.8596 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.4742 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
7.6397 2.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.0615 2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0790 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.9484 6.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
4.3411 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
3.0790 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.5761 1.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.3645 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.3178 3.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
10.6125 2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
2.3645 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
5.4646 6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.6500 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1.6500 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.1251 3.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.4198 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
6.7349 7.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
11.6761 2.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
|
1 37 2 0 0 0 0
|
|
2 39 2 0 0 0 0
|
|
3 43 2 0 0 0 0
|
|
4 51 1 0 0 0 0
|
|
4 54 1 0 0 0 0
|
|
5 49 2 0 0 0 0
|
|
6 52 2 0 0 0 0
|
|
7 56 2 0 0 0 0
|
|
8 64 2 0 0 0 0
|
|
9 65 2 0 0 0 0
|
|
10 68 2 0 0 0 0
|
|
11 73 2 0 0 0 0
|
|
12 74 2 0 0 0 0
|
|
13 80 1 0 0 0 0
|
|
14 91 1 0 0 0 0
|
|
15 33 1 0 0 0 0
|
|
15 36 1 0 0 0 0
|
|
15 37 1 0 0 0 0
|
|
16 43 1 0 0 0 0
|
|
17 19 1 0 0 0 0
|
|
17 39 1 0 0 0 0
|
|
18 49 1 0 0 0 0
|
|
19 52 1 0 0 0 0
|
|
20 46 1 0 0 0 0
|
|
20 57 2 0 0 0 0
|
|
21 56 1 0 0 0 0
|
|
22 53 1 0 0 0 0
|
|
22 65 1 0 0 0 0
|
|
23 64 1 0 0 0 0
|
|
24 52 1 0 0 0 0
|
|
25 74 1 0 0 0 0
|
|
26 68 1 0 0 0 0
|
|
27 73 1 0 0 0 0
|
|
28 57 1 0 0 0 0
|
|
29 57 1 0 0 0 0
|
|
30 78 1 0 0 0 0
|
|
30 79 1 0 0 0 0
|
|
31 77 1 0 0 0 0
|
|
31 90 1 0 0 0 0
|
|
32 85 1 0 0 0 0
|
|
32 90 2 0 0 0 0
|
|
33 34 1 0 0 0 0
|
|
33 39 1 6 0 0 0
|
|
34 35 1 0 0 0 0
|
|
35 36 1 0 0 0 0
|
|
37 38 1 0 0 0 0
|
|
38 16 1 0 0 0 0
|
|
38 40 1 1 0 0 0
|
|
40 41 1 0 0 0 0
|
|
41 46 1 0 0 0 0
|
|
42 18 1 0 0 0 0
|
|
42 43 1 0 0 0 0
|
|
42 44 1 1 0 0 0
|
|
44 45 1 0 0 0 0
|
|
45 47 1 0 0 0 0
|
|
45 48 1 0 0 0 0
|
|
49 50 1 0 0 0 0
|
|
50 21 1 0 0 0 0
|
|
50 51 1 6 0 0 0
|
|
53 58 1 0 0 0 0
|
|
53 64 1 6 0 0 0
|
|
54 69 1 0 0 0 0
|
|
54 70 1 0 0 0 0
|
|
54 71 1 0 0 0 0
|
|
55 25 1 0 0 0 0
|
|
55 56 1 0 0 0 0
|
|
55 62 1 6 0 0 0
|
|
58 61 1 0 0 0 0
|
|
59 23 1 0 0 0 0
|
|
59 66 1 1 0 0 0
|
|
59 68 1 0 0 0 0
|
|
60 26 1 0 0 0 0
|
|
60 63 1 6 0 0 0
|
|
60 73 1 0 0 0 0
|
|
61 65 1 0 0 0 0
|
|
62 75 1 0 0 0 0
|
|
63 72 1 0 0 0 0
|
|
66 77 1 0 0 0 0
|
|
67 27 1 0 0 0 0
|
|
67 74 1 0 0 0 0
|
|
67 80 1 1 0 0 0
|
|
72 76 1 0 0 0 0
|
|
72 78 2 0 0 0 0
|
|
75 82 2 0 0 0 0
|
|
75 83 1 0 0 0 0
|
|
76 79 2 0 0 0 0
|
|
76 81 1 0 0 0 0
|
|
77 85 2 0 0 0 0
|
|
79 84 1 0 0 0 0
|
|
81 86 2 0 0 0 0
|
|
82 88 1 0 0 0 0
|
|
83 89 2 0 0 0 0
|
|
84 87 2 0 0 0 0
|
|
86 87 1 0 0 0 0
|
|
88 91 2 0 0 0 0
|
|
89 91 1 0 0 0 0
|
|
M END |