B8IM7T
-OEChem-04022105202D
71 76 0 0 0 0 0 0 0999 V2000
7.2788 -1.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3479 1.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3080 4.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5878 0.8359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 0.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5388 -0.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3006 1.9949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.8391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6607 3.6891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0110 -5.1754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 -0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5878 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5388 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2788 1.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3479 -1.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9479 2.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2433 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2614 -0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6389 3.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0523 -2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0704 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9916 2.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9659 -2.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7749 -2.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6704 -3.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6885 -2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9990 5.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4794 -4.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4975 -3.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3929 -3.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2020 -4.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 -1.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 1.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 -1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 -1.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6077 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9174 1.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1077 0.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5544 2.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6769 -2.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3262 -0.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9875 -3.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6368 -0.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3852 3.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -3.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -2.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6200 -1.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -1.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -1.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -3.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1040 -4.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7533 -1.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5886 5.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8074 5.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4093 4.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4146 -5.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0639 -2.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 17 2 0 0 0 0
3 26 1 0 0 0 0
3 38 1 0 0 0 0
4 11 1 0 0 0 0
4 17 1 0 0 0 0
4 19 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 18 1 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
6 20 1 0 0 0 0
7 19 1 0 0 0 0
7 29 2 0 0 0 0
8 21 1 0 0 0 0
8 33 2 0 0 0 0
9 26 2 0 0 0 0
9 29 1 0 0 0 0
10 42 3 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 0 0 0 0
12 14 1 0 0 0 0
12 43 1 0 0 0 0
12 44 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 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
18 21 1 0 0 0 0
18 51 1 0 0 0 0
18 52 1 0 0 0 0
19 22 2 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 25 2 0 0 0 0
22 26 1 0 0 0 0
22 53 1 0 0 0 0
23 27 1 0 0 0 0
23 54 1 0 0 0 0
24 28 2 0 0 0 0
24 55 1 0 0 0 0
25 31 1 0 0 0 0
25 32 1 0 0 0 0
27 30 2 0 0 0 0
27 56 1 0 0 0 0
28 30 1 0 0 0 0
28 57 1 0 0 0 0
29 58 1 0 0 0 0
30 35 1 0 0 0 0
31 34 2 0 0 0 0
31 59 1 0 0 0 0
32 60 1 0 0 0 0
32 61 1 0 0 0 0
32 62 1 0 0 0 0
33 34 1 0 0 0 0
33 63 1 0 0 0 0
34 64 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
36 39 1 0 0 0 0
36 65 1 0 0 0 0
37 40 2 0 0 0 0
37 66 1 0 0 0 0
38 67 1 0 0 0 0
38 68 1 0 0 0 0
38 69 1 0 0 0 0
39 41 2 0 0 0 0
39 70 1 0 0 0 0
40 41 1 0 0 0 0
40 71 1 0 0 0 0
41 42 1 0 0 0 0
M END
$$$$