BQA26J
-OEChem-04022101432D
38 41 0 1 0 0 0 0 0999 V2000
4.6004 -2.5876 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4912 0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0422 -0.8897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5963 -0.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9513 -1.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4844 1.5656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.7433 2.5316 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0066 3.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7561 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2634 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7100 2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4344 1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1749 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5333 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2068 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2741 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4992 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4106 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9861 -1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2242 -3.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9867 1.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7478 1.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3244 4.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3935 3.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3716 0.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1971 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7050 2.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0957 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5603 2.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3387 0.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0981 0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6597 1.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0062 -1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5963 -0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6498 -3.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9910 -4.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7987 -3.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 20 1 0 0 0 0
2 12 1 0 0 0 0
2 18 2 0 0 0 0
3 15 1 0 0 0 0
3 33 1 0 0 0 0
3 34 1 0 0 0 0
4 5 1 0 0 0 0
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4 35 1 0 0 0 0
5 19 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
7 22 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 14 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 2 0 0 0 0
10 15 1 0 0 0 0
11 12 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
13 14 2 0 0 0 0
13 29 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
16 18 1 0 0 0 0
16 19 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
17 32 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
M END
$$$$