D0J2TN
-OEChem-10121501142D
66 69 0 0 0 0 0 0 0999 V2000
4.3660 3.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5397 4.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 0.6148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -1.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7320 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7320 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 -0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6321 3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3660 3.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5718 2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4584 4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -2.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3378 3.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2245 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1642 4.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 4.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 -3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 -3.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 -4.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 -4.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7880 2.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3894 2.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3426 2.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9441 2.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9441 0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3426 1.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3894 1.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7880 0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0781 -0.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4766 -0.2775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7880 -0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3894 -0.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6794 2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8758 4.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9204 3.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1168 5.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6391 4.9417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4486 4.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7584 4.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5970 -3.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4030 -3.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5970 -4.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4030 -4.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -3.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -5.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 23 1 0 0 0 0
2 12 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 21 3 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 8 1 0 0 0 0
6 37 1 0 0 0 0
6 38 1 0 0 0 0
7 9 1 0 0 0 0
7 35 1 0 0 0 0
7 36 1 0 0 0 0
8 39 1 0 0 0 0
8 40 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 13 1 0 0 0 0
10 43 1 0 0 0 0
10 44 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
13 14 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
14 17 1 0 0 0 0
14 18 1 0 0 0 0
14 21 1 0 0 0 0
15 19 1 0 0 0 0
15 47 1 0 0 0 0
16 20 2 0 0 0 0
16 48 1 0 0 0 0
17 25 2 0 0 0 0
17 27 1 0 0 0 0
18 24 2 0 0 0 0
18 26 1 0 0 0 0
19 22 2 0 0 0 0
19 49 1 0 0 0 0
20 22 1 0 0 0 0
20 50 1 0 0 0 0
22 51 1 0 0 0 0
23 28 1 0 0 0 0
23 52 1 0 0 0 0
23 53 1 0 0 0 0
24 30 1 0 0 0 0
24 54 1 0 0 0 0
25 29 1 0 0 0 0
25 55 1 0 0 0 0
26 32 2 0 0 0 0
26 56 1 0 0 0 0
27 31 2 0 0 0 0
27 57 1 0 0 0 0
28 58 1 0 0 0 0
28 59 1 0 0 0 0
28 60 1 0 0 0 0
29 34 2 0 0 0 0
29 61 1 0 0 0 0
30 33 2 0 0 0 0
30 62 1 0 0 0 0
31 34 1 0 0 0 0
31 63 1 0 0 0 0
32 33 1 0 0 0 0
32 64 1 0 0 0 0
33 65 1 0 0 0 0
34 66 1 0 0 0 0
M END
$$$$