D0T5MO
-OEChem-10101305022D
49 52 0 1 0 0 0 0 0999 V2000
8.6500 2.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6610 -0.0785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5271 -0.5785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7510 -0.5854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3931 -0.0785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3931 0.9215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7430 -1.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6610 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5431 -1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5271 1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6451 -2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3393 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8242 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3393 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7587 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8076 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9229 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3972 0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2664 -0.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4830 -0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7463 -2.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4490 1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0504 0.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7612 -2.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1523 -1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9256 1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1285 1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2478 -2.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0460 -2.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0883 -0.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8767 -0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2324 0.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4343 0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3787 0.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7635 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1388 0.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 -2.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2085 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3838 0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3838 0.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0131 1.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3931 2.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7731 1.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6718 0.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -0.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 21 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
3 22 1 6 0 0 0
4 6 1 0 0 0 0
4 10 1 0 0 0 0
4 23 1 1 0 0 0
5 8 1 0 0 0 0
5 14 1 0 0 0 0
5 16 1 1 0 0 0
6 7 1 0 0 0 0
6 13 1 0 0 0 0
6 24 1 6 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 19 1 1 0 0 0
8 12 1 0 0 0 0
8 17 1 0 0 0 0
8 25 1 6 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 18 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 20 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 18 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 21 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
19 47 1 0 0 0 0
20 21 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
M END
$$$$