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
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41
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SciTegic05240709232D
17 18 0 0 0 0 999 V2000
3.9685 4.4489 0.0000 C 0 0
5.2676 5.1989 0.0000 C 0 0
3.9685 2.9489 0.0000 C 0 0
2.6695 5.1989 0.0000 C 0 0
6.5666 4.4489 0.0000 C 0 0
5.2676 6.6989 0.0000 C 0 0
5.2676 2.1989 0.0000 C 0 0
2.6695 2.1989 0.0000 S 0 0
2.6695 6.6989 0.0000 C 0 0
6.5666 2.9489 0.0000 C 0 0
7.8656 5.1989 0.0000 O 0 0
3.9685 7.4489 0.0000 C 0 0
3.0577 0.7500 0.0000 O 0 0
2.0356 3.5584 0.0000 O 0 0
1.2600 1.6859 0.0000 Cl 0 0
7.8657 2.1989 0.0000 N 0 3
9.1647 1.4489 0.0000 N 0 5
1 2 2 0
1 3 1 0
1 4 1 0
2 5 1 0
2 6 1 0
3 7 2 0
3 8 1 0
4 9 2 0
5 10 1 0
5 11 2 0
6 12 2 0
8 13 2 0
8 14 2 0
8 15 1 0
10 16 2 0
16 17 2 0
7 10 1 0
9 12 1 0
M CHG 2 16 1 17 -1
M END
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