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
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RDKit 3D
17 17 0 0 0 0 0 0 0 0999 V2000
0.5483 -1.5002 -0.2145 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8718 -1.2649 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 0.0287 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 1.0853 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0687 0.7980 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9607 1.8587 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 -0.4897 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7131 -0.7196 -0.2295 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1080 -2.0147 -0.4683 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6132 -2.0566 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 0.2365 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 2.1010 0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6042 2.5574 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9413 1.4928 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9787 2.4583 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6812 -2.4108 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5100 -2.1601 -1.4041 H 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 1 0
5 7 2 0
7 8 1 0
8 9 1 0
7 1 1 0
2 10 1 0
3 11 1 0
4 12 1 0
6 13 1 0
6 14 1 0
6 15 1 0
9 16 1 0
9 17 1 0
M END
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