BO28NS
-OEChem-04012112402D
68 67 0 1 0 0 0 0 0999 V2000
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8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6822 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4422 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2617 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0588 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7214 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 26 2 0 0 0 0
4 27 2 0 0 0 0
12 5 1 1 0 0 0
5 17 1 0 0 0 0
5 39 1 0 0 0 0
13 6 1 6 0 0 0
6 26 1 0 0 0 0
6 43 1 0 0 0 0
7 18 1 0 0 0 0
22 7 1 1 0 0 0
7 51 1 0 0 0 0
8 28 1 0 0 0 0
8 30 2 0 0 0 0
9 30 1 0 0 0 0
9 65 1 0 0 0 0
9 66 1 0 0 0 0
10 30 1 0 0 0 0
10 67 1 0 0 0 0
10 68 1 0 0 0 0
11 13 1 0 0 0 0
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12 14 1 0 0 0 0
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13 17 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
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14 35 1 0 0 0 0
15 20 1 0 0 0 0
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16 23 1 0 0 0 0
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16 38 1 0 0 0 0
19 40 1 0 0 0 0
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21 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
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22 50 1 0 0 0 0
23 52 1 0 0 0 0
23 53 1 0 0 0 0
23 54 1 0 0 0 0
24 25 1 0 0 0 0
24 55 1 0 0 0 0
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25 28 1 0 0 0 0
25 57 1 0 0 0 0
25 58 1 0 0 0 0
26 29 1 0 0 0 0
27 59 1 0 0 0 0
28 60 1 0 0 0 0
28 61 1 0 0 0 0
29 62 1 0 0 0 0
29 63 1 0 0 0 0
29 64 1 0 0 0 0
M END
$$$$