BW0SJ1
-OEChem-04012113243D
43 46 0 0 0 0 0 0 0999 V2000
3.1294 1.8379 -0.0012 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 -4.7256 -0.0041 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5803 2.4167 1.2577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5099 2.4611 -1.2612 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7825 1.5618 0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3865 1.6270 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5401 0.4164 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.7560 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7041 1.6586 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 1.6588 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6892 1.7236 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6878 1.7236 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9846 -0.9150 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6029 2.6597 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8674 0.7966 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7698 0.1849 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9058 2.2129 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7173 -1.5575 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7147 -1.5597 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0114 -0.4410 -1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0125 -0.4404 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1802 -2.8447 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 -2.8469 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5147 -1.7419 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5161 -1.7413 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9101 -3.4895 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7672 -2.3920 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2348 1.6320 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 1.6320 -2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2126 1.7416 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2078 1.7393 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2022 3.6653 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 0.1289 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7866 2.8396 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9213 -1.0687 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9167 -1.0724 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8141 0.0464 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8148 0.0440 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 -3.3452 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -3.3491 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7083 -2.2493 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7102 -2.2488 2.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1581 -3.4052 -0.0013 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 8 1 0 0 0 0
1 16 1 0 0 0 0
2 26 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
6 9 2 0 0 0 0
6 10 1 0 0 0 0
7 13 1 0 0 0 0
7 15 2 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
10 12 2 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 17 2 0 0 0 0
14 32 1 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 34 1 0 0 0 0
18 22 1 0 0 0 0
18 35 1 0 0 0 0
19 23 2 0 0 0 0
19 36 1 0 0 0 0
20 24 1 0 0 0 0
20 37 1 0 0 0 0
21 25 2 0 0 0 0
21 38 1 0 0 0 0
22 26 2 0 0 0 0
22 39 1 0 0 0 0
23 26 1 0 0 0 0
23 40 1 0 0 0 0
24 27 2 0 0 0 0
24 41 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
27 43 1 0 0 0 0
M END
$$$$