B1AC2O
-OEChem-04012118362D
53 57 0 1 0 0 0 0 0999 V2000
5.2024 4.8433 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.0030 -1.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2024 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6285 -1.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2902 -0.2959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2024 1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 0.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2413 1.0131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2413 0.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1078 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2902 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7024 0.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9812 -1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7024 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6503 -1.9901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3413 -2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3632 -3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0104 -3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0542 -4.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7014 -4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7233 -4.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2024 3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7024 3.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 3.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5869 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5869 -0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5063 0.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5063 0.9881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5424 1.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7533 1.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4210 -0.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8419 -1.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5124 1.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6198 1.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3101 0.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0433 -2.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9483 -2.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6169 -3.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4477 -4.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1163 -5.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8224 3.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5317 -5.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5824 3.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3924 4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 1.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 30 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
18 4 1 6 0 0 0
4 44 1 0 0 0 0
5 12 1 0 0 0 0
5 15 1 0 0 0 0
5 16 1 0 0 0 0
6 17 1 0 0 0 0
6 20 1 0 0 0 0
6 41 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 32 1 0 0 0 0
8 10 2 0 0 0 0
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11 13 1 0 0 0 0
11 14 1 0 0 0 0
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12 13 1 0 0 0 0
12 34 1 6 0 0 0
13 35 1 0 0 0 0
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14 15 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 17 1 6 0 0 0
15 39 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
18 40 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 21 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
21 24 2 0 0 0 0
21 27 1 0 0 0 0
22 25 1 0 0 0 0
22 45 1 0 0 0 0
23 26 2 0 0 0 0
23 46 1 0 0 0 0
24 29 1 0 0 0 0
25 28 2 0 0 0 0
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26 28 1 0 0 0 0
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27 30 2 0 0 0 0
27 49 1 0 0 0 0
28 50 1 0 0 0 0
29 31 2 0 0 0 0
29 51 1 0 0 0 0
30 31 1 0 0 0 0
31 52 1 0 0 0 0
32 53 1 0 0 0 0
M END
$$$$