1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
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RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
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-1.1258 1.5627 -1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7734 1.7609 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8579 0.4453 1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8093 0.1482 2.1162 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0167 -0.5453 0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1053 -1.8579 1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8463 -1.9334 2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0960 -0.2204 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1954 -1.2760 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0154 -1.2667 -0.1472 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0607 -1.4390 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 -0.8701 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6219 0.4752 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7960 0.9874 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0775 2.4019 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0634 2.9736 0.0328 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6718 0.1873 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3619 -1.1568 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1870 -1.6849 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
6 8 1 0
8 9 1 0
9 10 1 0
8 11 2 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 1 0
18 19 2 0
17 20 2 0
20 21 1 0
21 22 2 0
11 3 1 0
22 15 1 0
M END000
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