D7M3JN
-OEChem-06062108543D
36 36 0 0 0 0 0 0 0999 V2000
-0.1191 -2.4562 0.1413 S 0 0 0 0 0 0 0 0 0 0 0 0
4.2762 0.7154 -0.0442 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3859 2.1307 0.6704 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.7200 -2.8037 -1.3376 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9696 -3.3876 0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2319 -2.3455 1.0694 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6397 0.9437 1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8649 -0.5572 -0.4354 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6032 1.9364 -0.7641 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6428 1.0010 0.1376 N 0 3 0 0 0 0 0 0 0 0 0 0
-4.0552 0.6344 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8848 1.7907 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2618 0.4308 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2728 -0.6475 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 0.2712 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 0.1682 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5711 -0.8545 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3451 1.5334 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5394 0.5443 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9587 -0.7179 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7325 1.6700 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7005 2.7271 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9540 1.5714 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7056 1.9671 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7364 -0.4415 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9330 1.3059 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3255 0.2785 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9114 -0.5514 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3423 -0.8846 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7872 -1.5219 0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0592 -0.7621 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2474 2.4283 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 -1.5863 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1621 2.6629 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0583 -2.8275 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3989 0.2001 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 17 1 0 0 0 0
2 7 1 0 0 0 0
2 8 2 0 0 0 0
2 9 2 0 0 0 0
2 19 1 0 0 0 0
3 10 1 0 0 0 0
4 35 1 0 0 0 0
7 36 1 0 0 0 0
10 11 1 0 0 0 0
10 16 2 3 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 31 1 0 0 0 0
17 20 1 0 0 0 0
18 21 2 0 0 0 0
18 32 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
M CHG 2 3 -1 10 1
M END
$$$$