B0JZO5
-OEChem-04012113052D
76 80 0 1 0 0 0 0 0999 V2000
8.6577 -2.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 -0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5238 0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0278 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.1590 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0121 -2.2420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 -1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 -0.9549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 0.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.3368 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.9257 -2.6488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8212 -3.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8430 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3430 -2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 -1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6577 -0.6488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5238 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6577 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3898 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2558 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7917 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3898 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1218 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9257 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1218 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2558 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9257 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3884 0.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0158 -1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0158 0.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1805 1.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9257 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9218 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9218 0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2294 1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1936 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1936 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8932 -2.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8860 -4.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4412 -3.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2766 -4.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0346 -4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9281 -2.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8414 -3.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6577 -1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2548 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1252 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9223 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3924 -1.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2558 -1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4023 1.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0038 2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8528 0.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6157 0.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3888 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2357 -0.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2558 1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9781 0.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0086 -1.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0086 1.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8966 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6412 2.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4626 3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 1.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4576 -0.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4576 0.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1005 2.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 4.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6567 2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6567 3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 16 2 0 0 0 0
3 19 2 0 0 0 0
4 10 1 0 0 0 0
5 10 2 0 0 0 0
6 11 1 0 0 0 0
6 14 1 0 0 0 0
6 16 1 0 0 0 0
7 15 1 0 0 0 0
17 7 1 1 0 0 0
7 52 1 0 0 0 0
8 16 1 0 0 0 0
8 21 1 0 0 0 0
8 55 1 0 0 0 0
9 19 1 0 0 0 0
9 23 1 0 0 0 0
9 26 1 0 0 0 0
10 29 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 6 0 0 0
11 44 1 0 0 0 0
12 13 1 0 0 0 0
12 45 1 0 0 0 0
12 46 1 0 0 0 0
13 14 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 49 1 0 0 0 0
14 50 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 51 1 0 0 0 0
18 20 1 0 0 0 0
18 53 1 0 0 0 0
18 54 1 0 0 0 0
20 22 2 0 0 0 0
20 24 1 0 0 0 0
21 29 1 0 0 0 0
21 31 2 0 0 0 0
22 25 1 0 0 0 0
22 56 1 0 0 0 0
23 30 1 0 0 0 0
23 57 1 0 0 0 0
23 58 1 0 0 0 0
24 28 2 0 0 0 0
24 59 1 0 0 0 0
25 27 1 0 0 0 0
25 32 2 0 0 0 0
26 60 1 0 0 0 0
26 61 1 0 0 0 0
26 62 1 0 0 0 0
27 28 1 0 0 0 0
27 33 2 0 0 0 0
28 63 1 0 0 0 0
29 34 2 0 0 0 0
30 36 2 0 0 0 0
30 37 1 0 0 0 0
31 35 1 0 0 0 0
31 64 1 0 0 0 0
32 38 1 0 0 0 0
32 65 1 0 0 0 0
33 39 1 0 0 0 0
33 66 1 0 0 0 0
34 40 1 0 0 0 0
34 67 1 0 0 0 0
35 40 2 0 0 0 0
35 68 1 0 0 0 0
36 41 1 0 0 0 0
36 69 1 0 0 0 0
37 42 2 0 0 0 0
37 70 1 0 0 0 0
38 39 2 0 0 0 0
38 71 1 0 0 0 0
39 72 1 0 0 0 0
40 73 1 0 0 0 0
41 43 2 0 0 0 0
41 74 1 0 0 0 0
42 43 1 0 0 0 0
42 75 1 0 0 0 0
43 76 1 0 0 0 0
M CHG 2 4 -1 10 1
M END
$$$$