B26WTR
-OEChem-04012113403D
46 48 0 0 0 0 0 0 0999 V2000
4.5829 -0.7878 0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.1845 2.5887 0.1613 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0659 -0.1901 -1.9563 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7174 -1.4672 1.8567 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9237 -1.4847 -0.6542 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2367 1.6478 0.0271 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4520 0.6814 0.6363 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6594 -0.7824 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3494 -1.1849 -1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5165 -1.1823 1.2845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7069 -2.6701 -1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8732 -2.6674 1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5515 -3.0590 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2755 0.6816 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0316 1.2353 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3146 0.7513 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5323 2.7560 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 0.5097 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 0.5149 1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0087 4.1470 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3673 0.0377 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 -0.1956 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2081 0.0432 1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3959 0.0769 -3.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7273 -1.3630 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6947 -0.9595 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2617 -0.5912 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4396 -0.5883 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9794 -0.9549 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 -3.2668 -1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2513 -2.9074 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5340 -2.9028 2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9622 -3.2639 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5301 -2.5675 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7351 -4.1392 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 0.7085 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3401 0.6968 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5929 4.6738 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0999 4.1817 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7100 4.6789 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6362 -0.1239 2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8778 0.9479 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0162 0.9354 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 -0.1591 -3.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1441 1.1380 -3.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5274 -0.5762 -3.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 22 1 0 0 0 0
2 15 1 0 0 0 0
2 17 1 0 0 0 0
3 21 1 0 0 0 0
3 24 1 0 0 0 0
6 14 1 0 0 0 0
6 17 2 0 0 0 0
7 42 1 0 0 0 0
7 43 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 14 1 0 0 0 0
8 25 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
18 36 1 0 0 0 0
19 23 2 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 41 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
M END
$$$$