BA72RP
-OEChem-04012112243D
26 27 0 0 0 0 0 0 0999 V2000
0.7682 1.8718 -1.2427 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2923 -1.3778 1.2875 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 -0.0853 0.0851 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -1.7694 -0.7979 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1235 -0.1018 0.3885 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 0.5278 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.6512 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2059 0.6537 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9131 1.6157 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2712 -0.7424 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2874 1.5245 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9665 0.3455 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3675 0.3042 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3768 1.3591 -0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6395 -3.1143 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5528 -0.3602 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 2.5425 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8339 -1.6409 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2614 -1.6284 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8285 2.3706 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0368 0.2755 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2187 1.8431 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7942 -3.3095 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8680 -3.8071 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -3.3503 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1166 -1.8157 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 16 1 0 0 0 0
2 26 1 0 0 0 0
3 16 2 0 0 0 0
4 7 1 0 0 0 0
4 15 1 0 0 0 0
4 19 1 0 0 0 0
5 8 2 0 0 0 0
5 13 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 2 0 0 0 0
7 10 2 0 0 0 0
9 11 1 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
10 18 1 0 0 0 0
11 12 2 0 0 0 0
11 20 1 0 0 0 0
12 21 1 0 0 0 0
13 14 2 0 0 0 0
13 16 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
M END
$$$$