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
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RDKit 3D
20 19 0 0 0 0 0 0 0 0999 V2000
1.8530 0.6711 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3387 0.5832 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1045 -0.0974 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4269 0.5039 -1.4202 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3803 1.9550 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1747 -1.6153 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -2.0814 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2558 1.2416 0.1821 H 0 0 0 0 0 1 0 0 0 0 0 0
2.1652 1.1624 1.9515 H 0 0 0 0 0 1 0 0 0 0 0 0
2.3088 -0.3240 0.9971 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.0326 0.0015 1.8092 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.1031 1.5796 1.0428 H 0 0 0 0 0 1 0 0 0 0 0 0
0.5996 2.3504 -1.2021 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.5664 2.2691 -2.5177 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.1598 2.4053 -0.8631 H 0 0 0 0 0 1 0 0 0 0 0 0
0.0095 -1.9874 -1.3321 H 0 0 0 0 0 1 0 0 0 0 0 0
0.6131 -2.0128 0.3294 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.5898 -3.1743 0.1557 H 0 0 0 0 0 1 0 0 0 0 0 0
-2.3340 -1.6942 -0.4792 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.7353 -1.7363 1.1832 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
3 6 1 0
6 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
5 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
7 20 1 0
M END
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