D0H0EN
-OEChem-10101305032D
37 40 0 0 0 0 0 0 0999 V2000
7.4008 -2.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1871 1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7877 2.9263 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.0929 2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -1.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 0.5842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6577 -1.6711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0434 2.2585 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.1279 -1.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -1.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7115 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6620 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7115 -1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5053 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4063 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2496 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2001 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 -2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9160 0.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4616 0.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9957 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6616 1.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3797 1.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 6 1 0 0 0 0
2 37 1 0 0 0 0
3 8 1 0 0 0 0
4 8 2 0 0 0 0
5 9 1 0 0 0 0
5 13 1 0 0 0 0
5 26 1 0 0 0 0
6 11 1 0 0 0 0
6 31 1 0 0 0 0
7 16 2 0 0 0 0
7 18 1 0 0 0 0
8 23 1 0 0 0 0
9 11 2 0 0 0 0
9 12 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
10 15 1 0 0 0 0
12 14 2 0 0 0 0
12 18 1 0 0 0 0
13 17 1 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
15 19 2 0 0 0 0
15 27 1 0 0 0 0
16 22 1 0 0 0 0
17 21 2 0 0 0 0
17 28 1 0 0 0 0
19 21 1 0 0 0 0
19 25 1 0 0 0 0
20 23 2 0 0 0 0
20 29 1 0 0 0 0
21 30 1 0 0 0 0
22 24 2 0 0 0 0
22 32 1 0 0 0 0
23 24 1 0 0 0 0
24 33 1 0 0 0 0
25 34 1 0 0 0 0
25 35 1 0 0 0 0
25 36 1 0 0 0 0
M CHG 2 3 -1 8 1
M END
$$$$