B8Z9OI
-OEChem-04022100262D
55 56 0 1 0 0 0 0 0999 V2000
6.4543 2.7772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.4543 1.7772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.0971 1.0111 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 3.7772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2203 3.4200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4543 2.7772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.4543 1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 -2.2228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9543 -3.7617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 -3.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -2.5016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6453 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 -1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2144 -2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9543 -3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 -0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 -0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3203 0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5883 0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9086 -2.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6517 -3.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1165 -1.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1046 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 -3.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4396 -3.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7029 -2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9233 -1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0927 -1.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 -0.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8798 -1.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3187 -4.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 -1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 -1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8286 -3.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8572 0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4478 -2.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 -2.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 -2.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 -3.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2368 -3.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1124 -3.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0666 -3.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7229 -2.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2454 -1.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 -1.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1443 1.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 27 1 0 0 0 0
3 27 1 0 0 0 0
4 28 1 0 0 0 0
5 28 1 0 0 0 0
6 28 1 0 0 0 0
7 17 1 0 0 0 0
7 55 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 12 2 0 0 0 0
9 20 1 0 0 0 0
10 16 1 0 0 0 0
10 25 1 0 0 0 0
10 42 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 0 0 0 0
11 18 1 0 0 0 0
11 31 1 0 0 0 0
13 16 1 0 0 0 0
13 20 2 0 0 0 0
14 21 2 0 0 0 0
14 22 1 0 0 0 0
15 26 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
19 23 2 0 0 0 0
19 24 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
21 40 1 0 0 0 0
22 24 2 0 0 0 0
22 41 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
29 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
30 53 1 0 0 0 0
30 54 1 0 0 0 0
M END
$$$$