B1I9MY
-OEChem-04022105223D
40 42 0 0 0 0 0 0 0999 V2000
-4.3958 1.9591 0.0667 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 4.4590 -0.0235 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 -2.9158 -0.0433 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1067 1.7363 -1.1849 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0631 1.6956 1.3336 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3157 -4.8183 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4653 -3.3601 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8842 -1.7898 -0.0473 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6957 -1.1603 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5296 -0.4119 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 1.0456 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0411 -0.7535 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1401 -0.0418 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1083 -0.0532 1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3293 0.6870 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2975 0.6755 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -2.5281 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5495 0.5939 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8705 3.6584 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 1.4655 -1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3728 1.0278 1.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2238 -3.5485 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7085 2.7710 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8640 2.3334 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5319 3.2049 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5841 -5.9318 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7023 -0.3131 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6439 -0.3318 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7843 0.9702 -2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7263 0.9503 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7622 4.2887 0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2959 3.8540 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2658 3.8419 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5891 1.1454 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6396 0.3644 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4523 3.4491 -1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5041 2.6721 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 -5.9166 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2174 -5.9071 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0089 -6.8499 -0.0379 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 11 1 0 0 0 0
1 19 1 0 0 0 0
2 25 1 0 0 0 0
3 8 1 0 0 0 0
3 17 1 0 0 0 0
6 22 1 0 0 0 0
6 26 1 0 0 0 0
7 22 2 0 0 0 0
8 12 2 0 0 0 0
9 10 1 0 0 0 0
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9 17 2 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
13 27 1 0 0 0 0
14 16 2 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
16 30 1 0 0 0 0
17 22 1 0 0 0 0
18 20 2 0 0 0 0
18 21 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 23 1 0 0 0 0
20 34 1 0 0 0 0
21 24 2 0 0 0 0
21 35 1 0 0 0 0
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23 36 1 0 0 0 0
24 25 1 0 0 0 0
24 37 1 0 0 0 0
26 38 1 0 0 0 0
26 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$