B86FPD
-OEChem-04022100262D
55 56 0 0 0 0 0 0 0999 V2000
3.7372 3.4769 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 3.8341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 2.8341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 1.8341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5032 2.8341 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 1.0680 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 1.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -2.1659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 -3.1138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0032 -3.7048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 -2.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -1.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0032 -3.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -0.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 -2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 2.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5032 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7006 -3.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6517 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3948 -3.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8721 -3.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7519 -2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9722 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3676 -4.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9062 -0.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1003 -0.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9062 0.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1003 0.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8775 -3.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4461 -2.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6664 -2.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 -3.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 -3.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1417 -1.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 -0.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 -1.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2121 -3.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9917 -4.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1403 -2.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3606 -2.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8132 1.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9800 -4.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8556 -4.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8097 -3.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 26 1 0 0 0 0
3 26 1 0 0 0 0
4 27 1 0 0 0 0
5 27 1 0 0 0 0
6 27 1 0 0 0 0
7 15 1 0 0 0 0
7 52 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 14 1 0 0 0 0
9 16 1 0 0 0 0
9 23 1 0 0 0 0
9 39 1 0 0 0 0
10 11 2 0 0 0 0
10 18 1 0 0 0 0
11 13 1 0 0 0 0
12 16 1 0 0 0 0
12 18 2 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
13 31 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 17 1 0 0 0 0
15 26 1 0 0 0 0
15 27 1 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
17 21 2 0 0 0 0
17 22 1 0 0 0 0
18 34 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
20 22 2 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 28 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
28 29 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
29 30 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
30 53 1 0 0 0 0
30 54 1 0 0 0 0
30 55 1 0 0 0 0
M END
$$$$