B1RFE7
-OEChem-04022106462D
80 84 0 1 0 0 0 0 0999 V2000
8.2619 -0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 3.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2619 -3.8715 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
12.2619 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7619 -3.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7619 -3.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2619 -3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7619 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7619 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2619 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7619 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 3.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7619 -6.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2619 -5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 3.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7619 -6.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 4.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3426 3.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 5.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 4.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9854 5.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2746 6.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8445 -1.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1542 -1.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6793 -2.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3695 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1793 -3.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8695 -3.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3445 -1.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6542 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3445 -2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6542 -2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1793 -1.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8695 -1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8445 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1542 -3.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8445 -0.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1542 0.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2249 -4.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4519 -5.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2988 -5.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -0.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6419 -5.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0719 -4.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8819 1.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 2.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 2.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.4519 -7.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.8819 -5.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0719 -7.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2384 4.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1500 3.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0681 4.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 5.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8639 6.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4672 7.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6852 6.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 17 1 0 0 0 0
2 15 1 0 0 0 0
2 21 1 0 0 0 0
3 24 2 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 42 1 0 0 0 0
5 43 1 0 0 0 0
6 8 1 0 0 0 0
6 44 1 0 0 0 0
6 45 1 0 0 0 0
7 9 1 0 0 0 0
7 46 1 0 0 0 0
7 47 1 0 0 0 0
8 10 1 0 0 0 0
8 48 1 0 0 0 0
8 49 1 0 0 0 0
9 50 1 0 0 0 0
9 51 1 0 0 0 0
10 12 1 0 0 0 0
10 52 1 0 0 0 0
10 53 1 0 0 0 0
11 14 1 0 0 0 0
11 54 1 0 0 0 0
11 55 1 0 0 0 0
12 56 1 0 0 0 0
12 57 1 0 0 0 0
13 58 1 0 0 0 0
13 59 1 0 0 0 0
13 60 1 0 0 0 0
14 22 2 0 0 0 0
14 23 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
16 19 1 0 0 0 0
16 24 1 0 0 0 0
17 20 1 0 0 0 0
17 25 2 0 0 0 0
18 20 2 0 0 0 0
18 26 1 0 0 0 0
19 21 1 0 0 0 0
19 27 2 0 0 0 0
20 61 1 0 0 0 0
21 29 2 0 0 0 0
22 30 1 0 0 0 0
22 62 1 0 0 0 0
23 31 2 0 0 0 0
23 63 1 0 0 0 0
24 32 1 0 0 0 0
25 28 1 0 0 0 0
25 64 1 0 0 0 0
26 28 2 0 0 0 0
26 65 1 0 0 0 0
27 34 1 0 0 0 0
27 66 1 0 0 0 0
28 67 1 0 0 0 0
29 35 1 0 0 0 0
29 68 1 0 0 0 0
30 33 2 0 0 0 0
30 69 1 0 0 0 0
31 33 1 0 0 0 0
31 70 1 0 0 0 0
32 36 1 0 0 0 0
32 37 2 0 0 0 0
33 71 1 0 0 0 0
34 35 2 0 0 0 0
34 72 1 0 0 0 0
35 73 1 0 0 0 0
36 38 2 0 0 0 0
36 74 1 0 0 0 0
37 39 1 0 0 0 0
37 75 1 0 0 0 0
38 40 1 0 0 0 0
38 41 1 0 0 0 0
39 40 2 0 0 0 0
39 76 1 0 0 0 0
40 77 1 0 0 0 0
41 78 1 0 0 0 0
41 79 1 0 0 0 0
41 80 1 0 0 0 0
M END
$$$$