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
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-ISIS- 03290413112D
19 21 0 0 0 0 0 0 0 0999 V2000
-0.5458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8208 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3542 1.6250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
0.2417 -0.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
-1.2000 -0.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6417 0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8833 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4333 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4708 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7083 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0292 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8083 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0167 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0167 -3.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.8458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
3 2 1 0 0 0 0
4 1 1 0 0 0 0
5 1 1 0 0 0 0
6 2 1 0 0 0 0
7 5 1 0 0 0 0
8 4 1 0 0 0 0
9 3 1 0 0 0 0
10 3 1 0 0 0 0
11 9 2 0 0 0 0
12 10 2 0 0 0 0
13 8 2 0 0 0 0
14 8 1 0 0 0 0
15 16 1 0 0 0 0
16 14 2 0 0 0 0
17 13 1 0 0 0 0
18 15 1 0 0 0 0
19 4 1 0 0 0 0
7 6 2 0 0 0 0
15 17 2 0 0 0 0
12 11 1 0 0 0 0
M END
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