BOA4B8
-OEChem-04022106522D
57 61 0 0 0 0 0 0 0999 V2000
5.7923 -3.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6072 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2070 -4.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -1.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5776 -2.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9339 0.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9599 -0.0259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6801 3.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3382 4.8407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2908 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5998 -1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2967 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6509 0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5779 -1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9903 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2470 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7940 -2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9380 -0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3200 1.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6151 0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0110 2.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8845 -2.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9811 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2691 -1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9017 -3.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6008 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 -1.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5986 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6746 3.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4722 4.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0814 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5350 -4.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2438 -1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2692 1.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1034 0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7017 1.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8674 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8130 0.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6293 3.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4636 2.3283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4643 -3.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7969 -2.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6786 -0.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9846 2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9058 4.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1272 1.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6878 4.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0759 -4.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1184 -5.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -5.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7062 -2.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6569 -1.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7815 -1.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4095 -2.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8112 -2.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 -2.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 25 1 0 0 0 0
3 32 1 0 0 0 0
4 27 1 0 0 0 0
4 34 1 0 0 0 0
5 28 1 0 0 0 0
5 33 1 0 0 0 0
6 26 1 0 0 0 0
6 47 1 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
8 21 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 30 2 0 0 0 0
9 31 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 14 1 0 0 0 0
11 17 1 0 0 0 0
12 15 1 0 0 0 0
12 20 2 0 0 0 0
13 19 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 16 1 0 0 0 0
14 22 2 0 0 0 0
15 17 1 0 0 0 0
15 23 2 0 0 0 0
16 18 1 0 0 0 0
16 24 2 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 26 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 25 1 0 0 0 0
22 42 1 0 0 0 0
23 27 1 0 0 0 0
23 43 1 0 0 0 0
24 28 1 0 0 0 0
24 44 1 0 0 0 0
25 28 2 0 0 0 0
26 27 2 0 0 0 0
29 31 2 0 0 0 0
29 45 1 0 0 0 0
30 46 1 0 0 0 0
31 48 1 0 0 0 0
32 49 1 0 0 0 0
32 50 1 0 0 0 0
32 51 1 0 0 0 0
33 52 1 0 0 0 0
33 53 1 0 0 0 0
33 54 1 0 0 0 0
34 55 1 0 0 0 0
34 56 1 0 0 0 0
34 57 1 0 0 0 0
M END
$$$$