D00PYB
-OEChem-10101305022D
42 46 0 1 0 0 0 0 0999 V2000
2.2314 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1607 -1.4511 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0
3.6897 -0.9755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5133 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3370 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2392 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6897 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1166 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0597 -2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6795 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2994 -2.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1840 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4989 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9476 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 -2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9347 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7093 -1.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2986 -1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -3.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 15 1 0 0 0 0
2 16 2 0 0 0 0
3 20 1 0 0 0 0
3 22 1 0 0 0 0
4 7 1 0 0 0 0
4 11 1 0 0 0 0
4 17 1 0 0 0 0
4 27 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 1 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 14 1 0 0 0 0
6 23 1 1 0 0 0
7 12 1 0 0 0 0
7 24 1 6 0 0 0
8 11 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 16 1 0 0 0 0
9 28 1 1 0 0 0
10 13 2 0 0 0 0
10 15 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 19 1 0 0 0 0
14 18 2 0 0 0 0
14 33 1 0 0 0 0
15 20 2 0 0 0 0
16 18 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 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 38 1 0 0 0 0
20 21 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
M CHG 1 4 1
M END
$$$$