D01SQY
-OEChem-10101305022D
40 42 0 0 0 0 0 0 0999 V2000
2.8660 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9939 -0.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.8163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 -1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9939 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 -1.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 -1.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1839 1.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3103 1.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9136 2.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1317 1.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4570 -2.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3039 -2.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -1.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 1.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3039 2.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4570 2.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3039 -0.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 21 1 0 0 0 0
2 16 1 0 0 0 0
2 37 1 0 0 0 0
3 4 1 0 0 0 0
3 7 1 0 0 0 0
3 22 1 0 0 0 0
4 5 2 0 0 0 0
4 8 1 0 0 0 0
5 6 1 0 0 0 0
5 12 1 0 0 0 0
6 7 2 0 0 0 0
6 9 1 0 0 0 0
7 13 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 17 2 0 0 0 0
9 23 1 0 0 0 0
10 14 1 0 0 0 0
10 24 1 0 0 0 0
11 15 2 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 18 2 0 0 0 0
13 29 1 0 0 0 0
14 16 2 0 0 0 0
14 19 1 0 0 0 0
15 16 1 0 0 0 0
15 20 1 0 0 0 0
17 18 1 0 0 0 0
18 30 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 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
M END
$$$$