B26OTH
-OEChem-04022114213D
49 51 0 0 0 0 0 0 0999 V2000
-3.7185 -1.3133 0.5574 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6217 -0.3040 1.9403 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8034 -2.4327 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3603 -1.3557 1.8533 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3890 -1.8167 -1.7716 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2113 0.1108 -0.2595 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 -0.7334 0.2897 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4940 -1.1371 -1.0043 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0224 1.3802 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 0.2291 -1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8035 2.5031 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5194 1.3363 -2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3950 2.6628 -1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0101 -0.9478 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9238 -1.2158 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2043 -0.7040 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2729 -0.1595 1.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3689 0.5207 2.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0779 -1.2789 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1815 0.0183 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 -2.1209 -1.7455 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5315 1.2509 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4923 -0.1031 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1925 2.3622 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1533 1.0080 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5035 2.2407 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3919 1.2633 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9610 1.6478 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 0.4514 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9179 -0.7080 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6383 3.4445 0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8776 2.2852 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5786 1.0571 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1527 1.4513 -3.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0231 3.4203 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3592 3.0194 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9638 -1.7187 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 -0.3628 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0355 1.3142 2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3710 0.9759 3.6627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9606 -0.1898 3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9659 -1.6061 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8700 -2.7254 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6443 -2.7907 -2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5273 1.3938 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0228 -1.0502 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6901 3.3243 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1732 0.9133 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0187 3.1061 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 6 1 0 0 0 0
1 14 1 0 0 0 0
2 14 1 0 0 0 0
2 17 1 0 0 0 0
5 19 2 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
7 16 1 0 0 0 0
7 19 1 0 0 0 0
7 38 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 37 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
22 24 1 0 0 0 0
22 45 1 0 0 0 0
23 25 2 0 0 0 0
23 46 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 26 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$