BJ52OH
-OEChem-04022103403D
23 24 0 0 0 0 0 0 0999 V2000
-1.4271 1.1744 -0.6001 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.1820 -2.1335 1.4952 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0534 -1.6664 -1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8381 1.5288 1.6237 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8448 2.1492 -0.9938 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6297 0.1457 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1513 -0.5045 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1876 -0.9476 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 -0.3153 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7251 -0.8770 -1.0177 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8611 0.3040 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7087 -0.7718 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1448 0.7402 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0090 -0.4410 -1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7188 0.3676 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1789 1.2471 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1978 -1.8822 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 0.5962 2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4690 -0.7231 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7184 0.7042 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6225 0.0068 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6124 -1.8151 -2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2916 1.6878 2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 16 1 0 0 0 0
2 12 2 0 0 0 0
3 10 1 0 0 0 0
3 22 1 0 0 0 0
4 13 1 0 0 0 0
4 23 1 0 0 0 0
5 16 2 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 9 2 0 0 0 0
8 17 1 0 0 0 0
9 12 1 0 0 0 0
10 14 1 0 0 0 0
11 13 2 0 0 0 0
11 18 1 0 0 0 0
13 15 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
M END
$$$$