B3OJ1M
-OEChem-04042105563D
41 42 0 0 0 0 0 0 0999 V2000
-2.3227 3.2276 0.7112 S 0 0 0 0 0 0 0 0 0 0 0 0
4.7870 -1.7178 -0.3709 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0068 -1.8748 0.3372 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2046 0.6153 0.0209 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1225 2.6969 -0.1049 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3052 0.8501 -0.2736 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9838 0.0222 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8139 -0.4256 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0283 1.3115 0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1986 -0.7081 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0560 -1.1463 -1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2790 1.9973 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1667 2.1889 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 -0.0256 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2398 -1.3634 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6748 0.4905 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3469 -2.2118 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7816 -0.3581 -0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6176 -1.7092 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5905 -1.8599 1.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3273 0.8022 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 -0.6851 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1377 -1.1501 -0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3205 -0.0173 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3662 0.6229 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3402 2.0759 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8906 -0.0177 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.2005 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7631 -1.9623 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7099 -0.4721 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9443 1.3310 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 2.7515 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 3.6692 0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4314 0.3359 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8416 1.5127 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2267 -3.2659 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7690 0.0289 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4787 -2.3707 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 -2.2218 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6226 -0.8446 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2231 -2.5238 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 15 1 0 0 0 0
3 20 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
5 33 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 34 1 0 0 0 0
7 10 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 11 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
15 17 2 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 19 2 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$