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 51 52 53 54 55 56 57 58 59 60
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RDKit 3D
27 28 0 0 0 0 0 0 0 0999 V2000
1.2080 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2080 0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 1.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2080 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 -1.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.3949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2080 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1490 -1.2409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3358 1.3709 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2845 1.9193 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5850 0.3023 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5506 1.7019 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 1.3790 -2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 2.7886 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1771 1.0360 -1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2997 -0.0522 -1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6142 1.3510 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 2.4464 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1706 1.0467 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2930 -0.0409 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6042 1.3697 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5441 1.7126 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1070 1.3977 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4215 2.8009 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 2 1 0 0 0 0
1 9 2 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
11 25 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
M END
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