B6E0XW
-OEChem-04012118212D
55 59 0 0 0 0 0 0 0999 V2000
6.3465 0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6971 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -2.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5632 2.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2952 2.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9270 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0553 2.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8311 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2067 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1951 1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9386 0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0784 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0272 3.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8271 3.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9191 3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6971 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4292 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4292 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2952 0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1612 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1612 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6546 2.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4791 0.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0856 -0.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4832 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3616 3.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9095 4.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -0.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5632 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8923 0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2952 -0.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6982 2.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6982 0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 22 1 0 0 0 0
2 29 1 0 0 0 0
3 24 1 0 0 0 0
3 30 1 0 0 0 0
4 26 2 0 0 0 0
5 16 2 0 0 0 0
5 27 1 0 0 0 0
6 26 1 0 0 0 0
6 28 1 0 0 0 0
6 45 1 0 0 0 0
7 28 1 0 0 0 0
7 33 2 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
9 13 1 0 0 0 0
9 18 1 0 0 0 0
10 19 2 0 0 0 0
10 26 1 0 0 0 0
11 14 2 0 0 0 0
11 16 1 0 0 0 0
11 20 1 0 0 0 0
12 13 2 0 0 0 0
12 17 1 0 0 0 0
13 35 1 0 0 0 0
14 25 1 0 0 0 0
15 17 2 0 0 0 0
15 36 1 0 0 0 0
16 23 1 0 0 0 0
17 37 1 0 0 0 0
18 21 2 0 0 0 0
18 38 1 0 0 0 0
19 21 1 0 0 0 0
19 39 1 0 0 0 0
20 22 2 0 0 0 0
20 40 1 0 0 0 0
21 41 1 0 0 0 0
22 24 1 0 0 0 0
23 24 2 0 0 0 0
23 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
27 44 1 0 0 0 0
28 31 2 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
31 32 1 0 0 0 0
31 52 1 0 0 0 0
32 34 2 0 0 0 0
32 53 1 0 0 0 0
33 34 1 0 0 0 0
33 54 1 0 0 0 0
34 55 1 0 0 0 0
M END
$$$$