D02TIZ
-OEChem-10121500462D
52 54 0 1 0 0 0 0 0999 V2000
2.5369 2.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 2.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6793 0.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9900 3.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.0002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7331 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2629 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9685 3.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3221 3.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -3.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1826 3.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 0.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8829 1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0963 2.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5751 3.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8406 4.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7836 4.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9081 4.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8607 3.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -0.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -0.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 -1.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -2.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 47 1 0 0 0 0
2 8 1 0 0 0 0
2 10 1 0 0 0 0
2 15 1 0 0 0 0
9 3 1 6 0 0 0
3 14 1 0 0 0 0
3 31 1 0 0 0 0
4 10 2 0 0 0 0
4 14 1 0 0 0 0
5 11 1 0 0 0 0
5 15 2 0 0 0 0
6 13 1 0 0 0 0
6 14 2 0 0 0 0
7 13 1 0 0 0 0
7 20 1 0 0 0 0
7 41 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
9 18 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
11 13 2 0 0 0 0
12 19 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
20 46 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
22 48 1 0 0 0 0
23 25 2 0 0 0 0
23 49 1 0 0 0 0
24 26 2 0 0 0 0
24 50 1 0 0 0 0
25 26 1 0 0 0 0
25 51 1 0 0 0 0
26 52 1 0 0 0 0
M END
$$$$