BAGL94
-OEChem-04012117582D
56 57 0 1 0 0 0 0 0999 V2000
6.3301 1.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.9282 0.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1244 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9248 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8554 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6613 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 13 1 0 0 0 0
2 14 1 0 0 0 0
3 17 2 0 0 0 0
4 18 2 0 0 0 0
5 21 1 0 0 0 0
5 55 1 0 0 0 0
6 22 1 0 0 0 0
6 56 1 0 0 0 0
7 21 2 0 0 0 0
8 22 2 0 0 0 0
9 11 1 0 0 0 0
9 17 1 0 0 0 0
9 39 1 0 0 0 0
10 12 1 0 0 0 0
10 18 1 0 0 0 0
10 40 1 0 0 0 0
11 13 1 0 0 0 0
11 21 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 22 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 17 1 0 0 0 0
15 19 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 18 1 0 0 0 0
16 20 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
19 23 2 0 0 0 0
19 25 1 0 0 0 0
20 24 2 0 0 0 0
20 26 1 0 0 0 0
23 27 1 0 0 0 0
23 45 1 0 0 0 0
24 28 1 0 0 0 0
24 46 1 0 0 0 0
25 29 2 0 0 0 0
25 47 1 0 0 0 0
26 30 2 0 0 0 0
26 48 1 0 0 0 0
27 31 2 0 0 0 0
27 49 1 0 0 0 0
28 32 2 0 0 0 0
28 50 1 0 0 0 0
29 31 1 0 0 0 0
29 51 1 0 0 0 0
30 32 1 0 0 0 0
30 52 1 0 0 0 0
31 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$