D0ER5C
-OEChem-10101305022D
29 31 0 0 0 0 0 0 0999 V2000
8.3764 -1.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5047 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 -0.1939 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.6957 0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0047 -0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0047 -0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3137 0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6803 0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3197 -1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6897 -1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3291 0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5047 1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2992 -1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7102 -1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0321 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4955 1.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5181 -1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4913 -1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5139 1.1666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1247 1.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5047 2.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8847 1.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8861 -1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6380 -0.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1312 0.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 0.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8688 -0.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9834 -1.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 29 1 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 12 1 0 0 0 0
3 8 2 0 0 0 0
3 13 1 0 0 0 0
3 16 1 0 0 0 0
4 5 2 0 0 0 0
4 8 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
6 7 2 0 0 0 0
6 10 1 0 0 0 0
7 11 1 0 0 0 0
8 17 1 0 0 0 0
9 13 2 0 0 0 0
9 18 1 0 0 0 0
10 14 2 0 0 0 0
10 19 1 0 0 0 0
11 15 2 0 0 0 0
11 20 1 0 0 0 0
12 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
13 24 1 0 0 0 0
14 15 1 0 0 0 0
15 25 1 0 0 0 0
16 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
M CHG 1 3 1
M END
$$$$