B6ED5P
-OEChem-04022100262D
50 51 0 1 0 0 0 0 0999 V2000
6.2203 5.1348 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 5.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4543 4.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.4543 3.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 4.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0971 2.7259 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4543 3.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1353 -3.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 -2.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 -0.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9543 -2.0469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.7868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6453 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9543 -2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 -2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7231 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3164 -5.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1046 -0.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 -2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4396 -1.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0927 0.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 0.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 0.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8530 -0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -0.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -1.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1443 2.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2371 -4.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1538 -4.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7500 -5.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0642 -6.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8828 -5.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 26 1 0 0 0 0
5 26 1 0 0 0 0
6 26 1 0 0 0 0
7 14 1 0 0 0 0
7 45 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 28 2 0 0 0 0
10 13 1 0 0 0 0
10 16 1 0 0 0 0
10 19 1 0 0 0 0
11 13 2 0 0 0 0
11 24 1 0 0 0 0
12 13 1 0 0 0 0
12 15 1 0 0 0 0
12 18 1 0 0 0 0
12 31 1 0 0 0 0
14 17 1 0 0 0 0
14 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 24 2 0 0 0 0
19 37 1 0 0 0 0
20 22 1 0 0 0 0
20 38 1 0 0 0 0
21 23 2 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
24 28 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
27 44 1 0 0 0 0
29 30 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$