B1CDF7
-OEChem-04022103262D
92 95 0 1 0 0 0 0 0999 V2000
5.1350 -3.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1350 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1350 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -7.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.5369 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -6.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
9.4651 7.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 7.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7331 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 -2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 -3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3437 -3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9451 -3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 6.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 10 1 0 0 0 0
1 29 1 0 0 0 0
2 22 2 0 0 0 0
3 24 2 0 0 0 0
6 11 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
7 61 1 0 0 0 0
21 8 1 1 0 0 0
8 24 1 0 0 0 0
8 63 1 0 0 0 0
9 22 1 0 0 0 0
9 28 1 0 0 0 0
9 69 1 0 0 0 0
23 10 1 1 0 0 0
10 70 1 0 0 0 0
11 39 2 0 0 0 0
11 40 1 0 0 0 0
12 47 1 0 0 0 0
12 90 1 0 0 0 0
12 91 1 0 0 0 0
13 47 2 0 0 0 0
13 92 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
14 48 1 0 0 0 0
15 18 1 0 0 0 0
15 49 1 0 0 0 0
15 50 1 0 0 0 0
16 19 1 0 0 0 0
16 51 1 0 0 0 0
16 52 1 0 0 0 0
17 20 1 0 0 0 0
17 53 1 0 0 0 0
17 54 1 0 0 0 0
18 55 1 0 0 0 0
18 56 1 0 0 0 0
19 57 1 0 0 0 0
19 58 1 0 0 0 0
20 21 1 0 0 0 0
20 59 1 0 0 0 0
20 60 1 0 0 0 0
21 22 1 0 0 0 0
21 62 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 64 1 0 0 0 0
25 26 1 0 0 0 0
25 65 1 0 0 0 0
25 66 1 0 0 0 0
26 27 1 0 0 0 0
26 67 1 0 0 0 0
26 68 1 0 0 0 0
27 30 1 0 0 0 0
27 71 1 0 0 0 0
27 72 1 0 0 0 0
28 31 1 0 0 0 0
28 73 1 0 0 0 0
28 74 1 0 0 0 0
29 32 1 0 0 0 0
29 75 1 0 0 0 0
29 76 1 0 0 0 0
30 33 2 0 0 0 0
30 34 1 0 0 0 0
31 35 2 0 0 0 0
31 36 1 0 0 0 0
32 37 2 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
33 77 1 0 0 0 0
34 40 2 0 0 0 0
34 78 1 0 0 0 0
35 41 1 0 0 0 0
35 79 1 0 0 0 0
36 42 2 0 0 0 0
36 80 1 0 0 0 0
37 44 1 0 0 0 0
37 81 1 0 0 0 0
38 45 2 0 0 0 0
38 82 1 0 0 0 0
39 83 1 0 0 0 0
40 84 1 0 0 0 0
41 43 2 0 0 0 0
41 85 1 0 0 0 0
42 43 1 0 0 0 0
42 86 1 0 0 0 0
43 47 1 0 0 0 0
44 46 2 0 0 0 0
44 87 1 0 0 0 0
45 46 1 0 0 0 0
45 88 1 0 0 0 0
46 89 1 0 0 0 0
M CHG 2 6 -1 11 1
M END
$$$$