LAB9J0
-OEChem-05022323252D
50 52 0 1 0 0 0 0 0999 V2000
3.7320 -0.5600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 0.6353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7404 2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3241 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 2.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 2.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9331 2.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9331 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9441 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 5 1 0 0 0 0
1 16 1 0 0 0 0
4 20 2 0 0 0 0
5 12 1 0 0 0 0
5 14 1 0 0 0 0
11 6 1 6 0 0 0
6 20 1 0 0 0 0
6 39 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
7 46 1 0 0 0 0
8 21 1 0 0 0 0
8 23 2 0 0 0 0
9 22 1 0 0 0 0
9 24 2 0 0 0 0
10 24 1 0 0 0 0
10 26 1 0 0 0 0
10 49 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 15 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 17 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 38 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
21 22 2 0 0 0 0
22 47 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 2 0 0 0 0
25 48 1 0 0 0 0
26 50 1 0 0 0 0
M END
$$$$