D04JAX
-OEChem-10101305022D
47 50 0 0 0 0 0 0 0999 V2000
3.7320 3.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4920 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4848 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4848 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9338 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 1.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7979 1.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5742 2.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 18 1 0 0 0 0
2 18 2 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
5 7 1 0 0 0 0
5 28 1 0 0 0 0
5 29 1 0 0 0 0
6 8 1 0 0 0 0
6 26 1 0 0 0 0
6 27 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 12 1 0 0 0 0
10 14 2 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 17 2 0 0 0 0
12 19 1 0 0 0 0
13 18 1 0 0 0 0
13 34 1 0 0 0 0
14 21 1 0 0 0 0
14 35 1 0 0 0 0
15 22 1 0 0 0 0
16 20 2 0 0 0 0
16 36 1 0 0 0 0
17 23 1 0 0 0 0
17 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
21 23 2 0 0 0 0
21 41 1 0 0 0 0
22 24 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
M END
$$$$