D0R7QY
-OEChem-10101305022D
47 50 0 1 0 0 0 0 0999 V2000
3.4022 -1.4701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.9163 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2663 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8989 -2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9056 -0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6594 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6594 1.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7934 -0.4211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9273 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7934 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6056 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9273 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8094 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6056 1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1892 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6594 2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0173 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9114 -1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0093 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0905 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0739 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1426 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1343 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7493 -0.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5328 -0.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6635 0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1919 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3948 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3546 -0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1430 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7153 1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3168 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0275 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4186 -1.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6501 0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6501 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2794 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6594 2.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0394 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5141 -2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3124 -2.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1024 0.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0763 -2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6093 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5405 -0.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 6 1 0 0 0 0
2 15 2 0 0 0 0
3 24 1 0 0 0 0
6 46 1 0 0 0 0
6 47 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 0 0 0 0
7 25 1 6 0 0 0
8 11 1 0 0 0 0
8 15 1 0 0 0 0
8 17 1 1 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
9 26 1 1 0 0 0
10 13 1 0 0 0 0
10 18 1 0 0 0 0
10 27 1 6 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 19 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 16 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 20 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 22 1 0 0 0 0
21 23 2 0 0 0 0
21 43 1 0 0 0 0
22 24 2 0 0 0 0
22 44 1 0 0 0 0
23 24 1 0 0 0 0
23 45 1 0 0 0 0
M END
$$$$