D0X9ZC
-OEChem-10121500302D
42 44 0 1 0 0 0 0 0999 V2000
3.7320 -1.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.3120 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5393 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8499 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3120 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7233 -2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6064 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6064 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2785 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9841 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9506 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6562 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2114 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6227 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1778 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8835 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8164 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3673 -1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1503 -1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3849 -1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1608 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1241 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4945 -2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7739 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0602 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3395 0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2874 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 14 1 0 0 0 0
2 12 2 0 0 0 0
3 16 2 0 0 0 0
4 18 1 0 0 0 0
4 37 1 0 0 0 0
5 18 2 0 0 0 0
6 25 1 0 0 0 0
6 42 1 0 0 0 0
7 10 1 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
11 8 1 1 0 0 0
8 16 1 0 0 0 0
8 28 1 0 0 0 0
19 9 1 1 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 11 1 0 0 0 0
10 26 1 6 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
13 15 2 0 0 0 0
13 18 1 0 0 0 0
14 15 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 17 1 0 0 0 0
16 19 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
19 20 1 0 0 0 0
19 34 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
24 25 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$