D0XL6P
-OEChem-10101305022D
46 50 0 0 0 0 0 0 0999 V2000
2.0000 2.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 -1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2241 1.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9904 -2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8501 0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7224 -2.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8545 -2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6382 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7502 1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6503 0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 1.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 2.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 0.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 2.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 2.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -0.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 -1.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2169 1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6659 0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4522 -2.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3108 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2581 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8521 -3.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1703 -0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7502 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1896 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
3 16 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
5 7 1 0 0 0 0
5 30 1 0 0 0 0
5 31 1 0 0 0 0
6 8 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 32 1 0 0 0 0
7 33 1 0 0 0 0
8 34 1 0 0 0 0
8 35 1 0 0 0 0
9 13 2 0 0 0 0
10 11 2 0 0 0 0
10 15 1 0 0 0 0
10 16 1 0 0 0 0
11 18 1 0 0 0 0
12 14 1 0 0 0 0
12 15 2 0 0 0 0
12 19 1 0 0 0 0
13 16 1 0 0 0 0
13 36 1 0 0 0 0
14 17 1 0 0 0 0
14 21 2 0 0 0 0
15 37 1 0 0 0 0
17 20 1 0 0 0 0
17 22 2 0 0 0 0
18 19 2 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
20 23 1 0 0 0 0
20 25 2 0 0 0 0
21 24 1 0 0 0 0
21 40 1 0 0 0 0
22 26 1 0 0 0 0
22 41 1 0 0 0 0
23 24 2 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 27 2 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
M END
$$$$