B0EFK3
-OEChem-04012113532D
43 46 0 0 0 0 0 0 0999 V2000
7.0864 -3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7953 1.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 0.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 -1.6146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3780 -2.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6613 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0443 -2.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6907 -1.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0232 -2.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6697 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3359 -1.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8742 0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1122 0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1824 -2.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9387 -2.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6029 -0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4339 -0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1379 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7394 2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5408 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9088 -2.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -0.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8504 -3.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2776 -0.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1244 3.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4363 -3.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8635 -0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9429 -1.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 20 1 0 0 0 0
2 40 1 0 0 0 0
3 20 2 0 0 0 0
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4 12 1 0 0 0 0
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6 7 2 0 0 0 0
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7 9 1 0 0 0 0
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8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
11 14 2 0 0 0 0
12 15 2 0 0 0 0
13 20 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 17 1 0 0 0 0
14 34 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
16 19 1 0 0 0 0
17 18 2 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
21 23 1 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$