B0I3LB
-OEChem-04012116392D
36 41 0 1 0 0 0 0 0999 V2000
3.2352 0.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8446 0.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0916 2.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 3.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5938 -1.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5938 -3.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1156 -1.9852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0332 -0.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0216 -1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9156 -2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5509 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5508 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9156 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0610 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7816 -1.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5709 2.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6476 -2.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6476 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7816 -3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0608 1.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5709 2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0216 -3.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1156 -3.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1774 -2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2716 -0.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7816 -0.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7816 -4.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 1.9055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8870 3.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0288 -4.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8151 3.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3921 3.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 -3.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6383 -2.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6383 -2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 11 1 0 0 0 0
2 8 1 0 0 0 0
2 12 1 0 0 0 0
3 14 1 0 0 0 0
3 23 1 0 0 0 0
4 16 1 0 0 0 0
4 23 1 0 0 0 0
5 17 1 0 0 0 0
5 25 1 0 0 0 0
6 18 1 0 0 0 0
6 25 1 0 0 0 0
7 9 2 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 6 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
10 15 2 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
12 20 1 0 0 0 0
13 19 2 0 0 0 0
13 22 1 0 0 0 0
14 16 2 0 0 0 0
15 17 1 0 0 0 0
15 27 1 0 0 0 0
16 21 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 28 1 0 0 0 0
20 21 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 31 1 0 0 0 0
23 32 1 0 0 0 0
23 33 1 0 0 0 0
24 34 1 0 0 0 0
25 35 1 0 0 0 0
25 36 1 0 0 0 0
M END
$$$$