B6DFU2
-OEChem-04012115572D
65 68 0 1 0 0 0 0 0999 V2000
2.8680 -0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7407 -2.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.4879 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
12.4602 0.4879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.0429 0.8243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.5328 -1.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.0121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3738 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5648 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5429 1.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5817 -0.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5287 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9995 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3947 0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5976 0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4636 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2607 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1267 0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3297 0.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1957 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9928 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1040 1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -0.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 3.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2518 3.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7951 2.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1210 -1.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3303 -2.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 30 1 0 0 0 0
2 21 1 0 0 0 0
2 31 1 0 0 0 0
3 7 1 0 0 0 0
3 65 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
5 24 1 0 0 0 0
5 28 1 0 0 0 0
5 29 1 0 0 0 0
6 28 2 0 0 0 0
6 32 1 0 0 0 0
7 33 2 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
8 34 1 0 0 0 0
9 12 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 13 1 0 0 0 0
10 17 2 0 0 0 0
11 14 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 13 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 18 2 0 0 0 0
14 16 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 19 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 20 1 0 0 0 0
17 45 1 0 0 0 0
18 21 1 0 0 0 0
18 46 1 0 0 0 0
19 24 1 0 0 0 0
19 47 1 0 0 0 0
19 48 1 0 0 0 0
20 21 2 0 0 0 0
22 25 1 0 0 0 0
22 49 1 0 0 0 0
23 26 2 0 0 0 0
23 50 1 0 0 0 0
24 51 1 0 0 0 0
24 52 1 0 0 0 0
25 27 2 0 0 0 0
25 53 1 0 0 0 0
26 27 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
28 33 1 0 0 0 0
29 32 2 0 0 0 0
29 56 1 0 0 0 0
30 57 1 0 0 0 0
30 58 1 0 0 0 0
30 59 1 0 0 0 0
31 60 1 0 0 0 0
31 61 1 0 0 0 0
31 62 1 0 0 0 0
32 63 1 0 0 0 0
33 64 1 0 0 0 0
M END
$$$$