BU1ZK7
-OEChem-04012118222D
46 50 0 0 0 0 0 0 0999 V2000
12.2380 0.0102 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.9131 3.4079 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3465 -0.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 1.7366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9739 1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3837 1.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6774 2.6677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -3.4354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1951 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2067 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6714 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6331 2.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3306 3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6139 2.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3114 3.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2731 2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9355 1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9163 0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2539 2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5755 1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4254 -0.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8160 0.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1312 4.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7201 3.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -1.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0737 3.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5268 0.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -3.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1836 1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -2.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
2 29 1 0 0 0 0
3 11 1 0 0 0 0
3 14 1 0 0 0 0
4 23 1 0 0 0 0
4 31 1 0 0 0 0
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5 10 1 0 0 0 0
5 12 1 0 0 0 0
6 15 2 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
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9 16 2 0 0 0 0
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10 11 1 0 0 0 0
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12 17 1 0 0 0 0
13 14 2 0 0 0 0
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13 20 1 0 0 0 0
14 22 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
16 21 1 0 0 0 0
17 19 2 0 0 0 0
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18 25 2 0 0 0 0
18 26 1 0 0 0 0
19 35 1 0 0 0 0
20 24 2 0 0 0 0
20 36 1 0 0 0 0
21 23 2 0 0 0 0
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22 27 2 0 0 0 0
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23 24 1 0 0 0 0
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26 28 2 0 0 0 0
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28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 43 1 0 0 0 0
31 44 1 0 0 0 0
31 45 1 0 0 0 0
31 46 1 0 0 0 0
M END
$$$$