BTS80E
-OEChem-04012116252D
49 52 0 0 0 0 0 0 0999 V2000
5.4641 0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.0782 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 6.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -3.2266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -2.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.0781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.5782 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 -0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 -4.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3638 -5.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 -5.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3423 -6.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3103 -0.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9136 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1317 -0.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4465 -4.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1136 -3.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -2.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -3.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 -6.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6168 -5.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5349 -6.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 4.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 9 1 0 0 0 0
3 9 2 0 0 0 0
4 5 1 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
5 12 2 0 0 0 0
6 11 2 0 0 0 0
6 16 1 0 0 0 0
7 8 1 0 0 0 0
7 18 1 0 0 0 0
7 43 1 0 0 0 0
8 26 2 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
12 17 1 0 0 0 0
13 15 1 0 0 0 0
13 18 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 16 2 0 0 0 0
15 32 1 0 0 0 0
16 21 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
19 22 1 0 0 0 0
19 36 1 0 0 0 0
20 23 2 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
22 24 2 0 0 0 0
22 41 1 0 0 0 0
23 24 1 0 0 0 0
23 42 1 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
25 28 1 0 0 0 0
26 45 1 0 0 0 0
27 30 1 0 0 0 0
27 46 1 0 0 0 0
28 31 2 0 0 0 0
28 47 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
30 48 1 0 0 0 0
31 49 1 0 0 0 0
M CHG 2 2 -1 9 1
M END
$$$$