B6V0ZS
-OEChem-04012120322D
83 85 0 0 0 0 0 0 0999 V2000
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9.4939 6.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.5622 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 8.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 6.8669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 5.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 7.0622 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
9.4939 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -6.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4939 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 6.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 6.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.4689 -2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.4689 -3.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -4.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -5.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -6.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -5.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -6.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0190 -7.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -8.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 -7.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3039 3.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9113 4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6016 4.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9570 -8.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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12.1139 5.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3039 6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 7.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4689 8.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 7.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 8.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1839 9.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9570 8.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 7.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 5.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
1 30 1 0 0 0 0
2 25 1 0 0 0 0
2 31 1 0 0 0 0
3 7 1 0 0 0 0
4 7 2 0 0 0 0
5 30 1 0 0 0 0
5 32 1 0 0 0 0
5 77 1 0 0 0 0
6 30 2 0 0 0 0
6 33 1 0 0 0 0
7 37 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 39 1 0 0 0 0
8 40 1 0 0 0 0
9 11 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 12 1 0 0 0 0
10 43 1 0 0 0 0
10 44 1 0 0 0 0
11 13 1 0 0 0 0
11 45 1 0 0 0 0
11 46 1 0 0 0 0
12 14 1 0 0 0 0
12 47 1 0 0 0 0
12 48 1 0 0 0 0
13 15 1 0 0 0 0
13 49 1 0 0 0 0
13 50 1 0 0 0 0
14 16 1 0 0 0 0
14 51 1 0 0 0 0
14 52 1 0 0 0 0
15 17 1 0 0 0 0
15 53 1 0 0 0 0
15 54 1 0 0 0 0
16 18 1 0 0 0 0
16 55 1 0 0 0 0
16 56 1 0 0 0 0
17 19 1 0 0 0 0
17 57 1 0 0 0 0
17 58 1 0 0 0 0
18 20 1 0 0 0 0
18 59 1 0 0 0 0
18 60 1 0 0 0 0
19 21 1 0 0 0 0
19 61 1 0 0 0 0
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20 22 1 0 0 0 0
20 63 1 0 0 0 0
20 64 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
22 27 1 0 0 0 0
22 65 1 0 0 0 0
22 66 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
24 28 2 0 0 0 0
24 67 1 0 0 0 0
25 29 2 0 0 0 0
26 68 1 0 0 0 0
26 69 1 0 0 0 0
27 70 1 0 0 0 0
27 71 1 0 0 0 0
27 72 1 0 0 0 0
28 29 1 0 0 0 0
28 73 1 0 0 0 0
29 74 1 0 0 0 0
31 34 1 0 0 0 0
31 75 1 0 0 0 0
31 76 1 0 0 0 0
32 33 2 0 0 0 0
32 35 1 0 0 0 0
33 36 1 0 0 0 0
34 78 1 0 0 0 0
34 79 1 0 0 0 0
34 80 1 0 0 0 0
35 37 2 0 0 0 0
35 81 1 0 0 0 0
36 38 2 0 0 0 0
36 82 1 0 0 0 0
37 38 1 0 0 0 0
38 83 1 0 0 0 0
M CHG 2 3 -1 7 1
M END
$$$$