BPU0X5
-OEChem-04042103303D
38 40 0 0 0 0 0 0 0999 V2000
4.0461 -0.7455 -1.5539 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1231 3.4638 0.9881 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0910 -0.8489 0.7893 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4501 0.1727 -1.2092 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8331 0.6001 -0.5413 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8355 1.5657 -0.1881 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7746 -0.3062 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6061 1.7685 0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 -1.6637 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2173 0.4625 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9248 2.4166 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4474 2.2812 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 1.6866 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4633 -2.7954 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5137 -1.7933 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 1.9935 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 0.8172 1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -4.0565 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6500 -3.0543 1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 1.4312 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6798 0.2549 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4085 0.5620 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1928 -4.1860 0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7223 -0.0267 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9498 -0.4365 -2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2496 0.0035 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4329 3.2204 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8367 1.7240 -0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 -2.7067 -1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8584 -0.9347 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2128 2.6692 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8612 0.5684 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2428 -4.9375 -0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 -3.1549 2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4275 1.6824 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0555 -0.4177 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2976 -5.1677 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9779 -1.2408 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 11 2 0 0 0 0
3 24 1 0 0 0 0
3 38 1 0 0 0 0
4 24 2 0 0 0 0
5 7 1 0 0 0 0
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5 10 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
12 13 1 0 0 0 0
12 27 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 18 1 0 0 0 0
14 29 1 0 0 0 0
15 19 2 0 0 0 0
15 30 1 0 0 0 0
16 20 1 0 0 0 0
16 31 1 0 0 0 0
17 21 2 0 0 0 0
17 32 1 0 0 0 0
18 23 2 0 0 0 0
18 33 1 0 0 0 0
19 23 1 0 0 0 0
19 34 1 0 0 0 0
20 22 2 0 0 0 0
20 35 1 0 0 0 0
21 22 1 0 0 0 0
21 36 1 0 0 0 0
22 24 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$