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
-3.7646 0.6326 -2.9889 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0141 0.1972 -2.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2239 2.4220 -1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 3.2449 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8336 2.6915 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0922 3.5409 1.2739 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8900 1.3174 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2429 0.7170 1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4392 1.4672 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5881 0.4755 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6348 -1.0028 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0823 -1.6866 -0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 -2.7554 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1372 -2.2927 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4880 -1.4515 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7597 -0.9026 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0556 0.1042 1.7376 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1970 0.5556 2.4827 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7233 -1.2259 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 -2.1111 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 -2.6313 -1.3405 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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