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
0.5877 -1.5050 -0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9050 -1.1902 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2737 0.1454 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3162 1.1494 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0199 0.8045 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0240 1.8819 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 -0.5213 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7101 -0.8062 -0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9645 -2.1645 -0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6669 -1.9607 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3259 0.3446 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 2.1795 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7714 2.5156 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0546 1.5181 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9223 2.5446 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 -2.6016 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 -2.3342 -1.2907 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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