BV4M7B
-OEChem-04012120072D
55 57 0 1 0 0 0 0 0999 V2000
3.4945 3.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2158 3.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 3.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.6323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 0.6323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6673 -4.4024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 2.1323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1753 1.6323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0413 2.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 3.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 3.1268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3092 2.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 3.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 3.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -2.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -2.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 -3.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -2.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6673 -2.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -4.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -3.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5734 -2.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5734 -3.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5447 1.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2534 1.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6519 2.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5782 2.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1621 1.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9736 1.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0515 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6383 0.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2173 3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4443 3.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5973 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4853 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6383 3.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8653 3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0869 4.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4307 -0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8292 -1.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5044 -2.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6601 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 -4.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5044 -4.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1091 -2.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1091 -4.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 17 1 0 0 0 0
2 15 1 0 0 0 0
2 47 1 0 0 0 0
3 16 2 0 0 0 0
4 17 2 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 20 2 0 0 0 0
10 7 1 1 0 0 0
7 16 1 0 0 0 0
7 39 1 0 0 0 0
11 8 1 6 0 0 0
8 20 1 0 0 0 0
8 40 1 0 0 0 0
9 24 1 0 0 0 0
9 30 2 0 0 0 0
10 14 1 0 0 0 0
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10 31 1 0 0 0 0
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11 16 1 0 0 0 0
11 32 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 18 1 0 0 0 0
13 19 1 0 0 0 0
13 35 1 0 0 0 0
14 17 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 21 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
22 23 1 0 0 0 0
22 25 2 0 0 0 0
23 24 2 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
25 28 1 0 0 0 0
25 50 1 0 0 0 0
26 29 2 0 0 0 0
26 51 1 0 0 0 0
27 28 2 0 0 0 0
27 52 1 0 0 0 0
28 53 1 0 0 0 0
29 30 1 0 0 0 0
29 54 1 0 0 0 0
30 55 1 0 0 0 0
M END
$$$$