BO1GS0
-OEChem-04012113192D
45 47 0 0 0 0 0 0 0999 V2000
2.8660 2.9085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 2.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 2.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 3.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4939 1.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0496 -2.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 1.1037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0746 -0.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3638 -1.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4068 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6960 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7175 -2.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 2.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3603 -3.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1035 -0.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2679 0.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 3.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8820 0.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9705 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 3.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 2.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8886 -2.8752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 2.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1139 2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4939 3.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7710 -3.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5529 -4.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9496 -3.5819 0.0000 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 14 1 0 0 0 0
1 21 1 0 0 0 0
2 18 1 0 0 0 0
2 25 1 0 0 0 0
5 18 2 0 0 0 0
6 24 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 9 2 0 0 0 0
8 15 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
10 16 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 2 0 0 0 0
11 18 1 0 0 0 0
12 29 1 0 0 0 0
13 14 2 0 0 0 0
13 30 1 0 0 0 0
14 17 1 0 0 0 0
15 17 2 0 0 0 0
15 31 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 32 1 0 0 0 0
19 22 1 0 0 0 0
19 33 1 0 0 0 0
20 23 2 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
23 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
M END
$$$$