BOA98P
-OEChem-04012120062D
44 46 0 0 0 0 0 0 0999 V2000
6.1132 1.2961 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.2428 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -4.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -4.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4753 4.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8766 3.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2943 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8821 3.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 0.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1317 1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2150 2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8636 3.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7803 2.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -3.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -3.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -1.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -1.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 0.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8398 5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 15 1 0 0 0 0
2 23 1 0 0 0 0
3 27 1 0 0 0 0
6 26 1 0 0 0 0
6 44 1 0 0 0 0
7 26 2 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 14 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 28 1 0 0 0 0
13 18 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 21 2 0 0 0 0
14 22 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 31 1 0 0 0 0
17 20 2 0 0 0 0
17 32 1 0 0 0 0
18 26 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 25 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 27 2 0 0 0 0
24 42 1 0 0 0 0
25 27 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$