BG8W0I
-OEChem-04022105212D
76 81 0 0 0 0 0 0 0999 V2000
7.2788 -0.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3479 2.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9260 3.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1155 -3.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0974 -4.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5878 1.7824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5388 0.4734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3006 2.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.1074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6389 4.4277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5878 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5388 1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2788 2.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3479 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9479 3.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2433 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2614 0.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0523 -1.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0704 -0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9916 3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9659 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6607 4.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7749 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5952 4.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6704 -2.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6885 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4794 -3.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4975 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7568 -3.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3929 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2020 -3.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 2.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 2.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 -0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1077 1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 1.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6769 -1.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3262 0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9875 -2.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6368 -0.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3852 4.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -2.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 -0.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4691 5.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -0.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -2.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0559 3.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0100 4.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1344 4.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7533 -0.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4146 -4.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0639 -1.8066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5047 -2.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1904 -3.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0090 -3.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6171 -3.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 18 2 0 0 0 0
3 23 1 0 0 0 0
3 37 1 0 0 0 0
4 44 1 0 0 0 0
4 76 1 0 0 0 0
5 44 2 0 0 0 0
6 12 1 0 0 0 0
6 18 1 0 0 0 0
6 20 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 19 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
8 21 1 0 0 0 0
9 20 2 0 0 0 0
9 29 1 0 0 0 0
10 22 1 0 0 0 0
10 34 2 0 0 0 0
11 23 2 0 0 0 0
11 33 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 17 1 0 0 0 0
13 15 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
14 16 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
15 49 1 0 0 0 0
15 50 1 0 0 0 0
16 51 1 0 0 0 0
16 52 1 0 0 0 0
19 22 1 0 0 0 0
19 53 1 0 0 0 0
19 54 1 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 26 2 0 0 0 0
24 27 1 0 0 0 0
24 55 1 0 0 0 0
25 28 2 0 0 0 0
25 56 1 0 0 0 0
26 31 1 0 0 0 0
26 32 1 0 0 0 0
27 30 2 0 0 0 0
27 57 1 0 0 0 0
28 30 1 0 0 0 0
28 58 1 0 0 0 0
29 33 2 0 0 0 0
29 59 1 0 0 0 0
30 36 1 0 0 0 0
31 35 2 0 0 0 0
31 60 1 0 0 0 0
32 61 1 0 0 0 0
32 62 1 0 0 0 0
32 63 1 0 0 0 0
33 64 1 0 0 0 0
34 35 1 0 0 0 0
34 65 1 0 0 0 0
35 66 1 0 0 0 0
36 38 2 0 0 0 0
36 39 1 0 0 0 0
37 67 1 0 0 0 0
37 68 1 0 0 0 0
37 69 1 0 0 0 0
38 40 1 0 0 0 0
38 42 1 0 0 0 0
39 41 2 0 0 0 0
39 70 1 0 0 0 0
40 43 2 0 0 0 0
40 71 1 0 0 0 0
41 43 1 0 0 0 0
41 72 1 0 0 0 0
42 73 1 0 0 0 0
42 74 1 0 0 0 0
42 75 1 0 0 0 0
43 44 1 0 0 0 0
M END
$$$$