BDLN78
-OEChem-04022101192D
42 45 0 1 0 0 0 0 0999 V2000
6.5861 -1.8313 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3866 -2.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0949 3.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5861 0.4157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6112 -1.6088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.1773 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6112 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9877 -2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3680 -1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9877 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3680 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9989 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 -3.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3531 1.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9989 0.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3754 -3.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7296 -4.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7407 -3.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1680 -1.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1680 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7296 2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3754 1.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7407 2.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8160 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6926 -0.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6926 -1.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7724 -1.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9661 -3.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2547 -2.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9661 1.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7724 0.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2547 0.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9561 -4.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 -4.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7037 -1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7037 0.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7623 1.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 3.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7083 4.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 9 1 0 0 0 0
2 18 1 0 0 0 0
2 41 1 0 0 0 0
3 23 1 0 0 0 0
3 42 1 0 0 0 0
4 7 2 0 0 0 0
4 11 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 10 1 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
9 11 1 0 0 0 0
9 14 2 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 17 2 0 0 0 0
12 18 1 0 0 0 0
12 29 1 0 0 0 0
13 19 2 0 0 0 0
13 30 1 0 0 0 0
14 21 1 0 0 0 0
14 31 1 0 0 0 0
15 23 1 0 0 0 0
15 32 1 0 0 0 0
16 24 2 0 0 0 0
16 33 1 0 0 0 0
17 22 1 0 0 0 0
17 34 1 0 0 0 0
18 20 2 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
20 36 1 0 0 0 0
21 22 2 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$