BJFU31
-OEChem-04012115122D
44 47 0 0 0 0 0 0 0999 V2000
7.3255 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -3.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 -0.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3984 2.8569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -3.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0383 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 -2.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 -2.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 -1.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 2.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -0.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -3.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 -1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 -2.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0894 3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3766 2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9875 0.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4200 0.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5858 1.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3476 2.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1819 1.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 0.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -3.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -3.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 -1.4258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 -1.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 -3.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6791 3.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8978 4.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4998 3.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2477 2.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9830 2.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5055 3.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 14 2 0 0 0 0
3 6 1 0 0 0 0
3 8 1 0 0 0 0
3 13 1 0 0 0 0
4 16 1 0 0 0 0
4 24 1 0 0 0 0
4 25 1 0 0 0 0
5 19 2 0 0 0 0
5 23 1 0 0 0 0
6 7 2 0 0 0 0
6 9 1 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
9 17 2 0 0 0 0
10 16 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 15 2 0 0 0 0
11 19 1 0 0 0 0
12 14 1 0 0 0 0
12 18 2 0 0 0 0
13 15 1 0 0 0 0
15 20 1 0 0 0 0
16 30 1 0 0 0 0
16 31 1 0 0 0 0
17 21 1 0 0 0 0
17 32 1 0 0 0 0
18 22 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 23 2 0 0 0 0
20 35 1 0 0 0 0
21 22 2 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
M END
$$$$