B05ITZ
-OEChem-04022102292D
52 52 0 1 0 0 0 0 0999 V2000
6.0413 8.3519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4073 5.5051 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 4.1391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4073 3.7730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 4.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 6.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 8.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3776 7.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5686 9.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0468 8.4564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5468 9.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 6.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7320 6.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5981 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9073 4.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7734 5.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0677 7.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8792 7.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5038 9.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9486 9.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3844 8.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1132 9.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3552 9.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1951 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1760 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5560 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2460 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1763 4.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14 1 1 6 0 0 0
2 28 1 0 0 0 0
3 28 1 0 0 0 0
4 28 1 0 0 0 0
5 18 2 0 0 0 0
6 26 2 0 0 0 0
7 29 1 0 0 0 0
7 52 1 0 0 0 0
8 29 2 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 18 1 0 0 0 0
16 10 1 1 0 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
11 48 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 37 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 6 0 0 0
17 38 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
21 23 1 0 0 0 0
21 44 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 25 2 0 0 0 0
23 46 1 0 0 0 0
24 25 1 0 0 0 0
24 47 1 0 0 0 0
26 27 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
28 29 1 0 0 0 0
M END
$$$$