B40TZY
-OEChem-04012117012D
63 65 0 0 0 0 0 0 0999 V2000
8.0622 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 -4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 -4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -6.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -5.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -4.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -5.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 -6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 -6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -5.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -6.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 18 1 0 0 0 0
2 16 2 0 0 0 0
3 29 1 0 0 0 0
3 30 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 12 1 0 0 0 0
6 14 1 0 0 0 0
6 16 1 0 0 0 0
6 50 1 0 0 0 0
7 9 1 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 10 1 0 0 0 0
8 33 1 0 0 0 0
8 34 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 13 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
12 15 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
13 14 1 0 0 0 0
13 43 1 0 0 0 0
13 44 1 0 0 0 0
14 45 1 0 0 0 0
14 46 1 0 0 0 0
15 47 1 0 0 0 0
15 48 1 0 0 0 0
15 49 1 0 0 0 0
16 17 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 22 1 0 0 0 0
19 23 2 0 0 0 0
19 24 1 0 0 0 0
20 23 1 0 0 0 0
20 53 1 0 0 0 0
21 24 2 0 0 0 0
21 54 1 0 0 0 0
22 25 2 0 0 0 0
22 26 1 0 0 0 0
23 55 1 0 0 0 0
24 56 1 0 0 0 0
25 27 1 0 0 0 0
25 57 1 0 0 0 0
26 28 2 0 0 0 0
26 58 1 0 0 0 0
27 29 2 0 0 0 0
27 59 1 0 0 0 0
28 29 1 0 0 0 0
28 60 1 0 0 0 0
30 61 1 0 0 0 0
30 62 1 0 0 0 0
30 63 1 0 0 0 0
M END
$$$$