B1H3QL
-OEChem-04012120062D
46 49 0 0 0 0 0 0 0999 V2000
6.6132 -4.0442 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 1.4946 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 2.3036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6925 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -4.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2943 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8821 4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2998 3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4753 4.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8930 4.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4808 5.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 0.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -2.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -2.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -5.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -5.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -1.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 1.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4987 3.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9353 2.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8398 5.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2764 4.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2286 5.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 10 1 0 0 0 0
1 20 1 0 0 0 0
2 9 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
3 24 1 0 0 0 0
4 23 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 17 2 0 0 0 0
11 30 1 0 0 0 0
12 15 1 0 0 0 0
12 31 1 0 0 0 0
13 16 2 0 0 0 0
13 32 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
18 21 1 0 0 0 0
18 35 1 0 0 0 0
19 22 2 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
22 41 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
26 28 2 0 0 0 0
26 43 1 0 0 0 0
27 29 2 0 0 0 0
27 44 1 0 0 0 0
28 29 1 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
M END
$$$$