B3OUB7
-OEChem-04042101403D
35 37 0 0 0 0 0 0 0999 V2000
-4.3013 1.8605 0.1948 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.6195 1.2504 0.0867 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9958 2.7254 1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7853 2.8627 0.8383 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7657 3.4328 -1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1922 -2.4045 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5307 -3.7013 -0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6869 -3.4841 -0.0804 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6226 -4.3570 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9723 2.6207 -0.0863 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.1559 -1.4038 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 0.6044 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 -2.2819 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3806 -0.6162 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8325 0.8210 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 -1.6204 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8655 -0.1831 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 -1.0305 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0405 2.7962 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7843 -0.7385 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -0.1122 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 1.3899 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4778 0.4716 0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3575 1.0980 -1.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3506 -0.8028 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5900 1.7582 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6652 -2.5571 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0483 0.0130 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1856 2.1411 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0286 3.2056 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7704 3.6082 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9605 -1.4431 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9733 -0.3257 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1763 0.6652 1.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 1.7879 -1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 12 1 0 0 0 0
1 19 1 0 0 0 0
4 10 1 0 0 0 0
5 10 2 0 0 0 0
6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 13 1 0 0 0 0
7 9 2 0 0 0 0
8 9 1 0 0 0 0
8 13 2 0 0 0 0
10 22 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 18 1 0 0 0 0
14 16 1 0 0 0 0
14 25 1 0 0 0 0
15 17 2 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
17 28 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 29 1 0 0 0 0
19 30 1 0 0 0 0
19 31 1 0 0 0 0
20 23 1 0 0 0 0
20 32 1 0 0 0 0
21 24 2 0 0 0 0
21 33 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 34 1 0 0 0 0
24 35 1 0 0 0 0
M CHG 2 4 -1 10 1
M END
$$$$