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
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RDKit 3D
17 16 0 0 0 0 0 0 0 0999 V2000
-2.7923 -0.7921 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7787 0.3738 0.6309 P 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9117 1.7041 -0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 0.1224 0.6694 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4770 -0.1306 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9680 -0.1634 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2649 -1.0223 0.4980 H 0 0 0 0 0 1 0 0 0 0 0 0
-3.0585 -1.5697 -1.1810 H 0 0 0 0 0 1 0 0 0 0 0 0
-3.1529 0.1712 -0.8314 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.9020 2.4848 0.3287 H 0 0 0 0 0 1 0 0 0 0 0 0
1.1495 -1.0941 -0.9533 H 0 0 0 0 0 1 0 0 0 0 0 0
1.2453 0.6548 -1.2770 H 0 0 0 0 0 1 0 0 0 0 0 0
3.5250 -0.3614 -1.2044 H 0 0 0 0 0 1 0 0 0 0 0 0
3.3056 0.7903 0.1348 H 0 0 0 0 0 1 0 0 0 0 0 0
3.2117 -0.9382 0.4500 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
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7 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
5 12 1 0
7 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
8 17 1 0
M END
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