D0M4XD
-OEChem-10101305032D
38 41 0 0 0 0 0 0 0999 V2000
2.8660 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2669 -2.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6537 2.9263 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.9589 2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.5842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5238 -1.6711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9094 2.2585 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.9939 -1.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 -1.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5775 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5281 -0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5775 -1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3713 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2724 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1156 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0661 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6029 -2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7820 0.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3277 0.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8617 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5276 1.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2458 1.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 26 1 0 0 0 0
2 18 2 0 0 0 0
3 7 1 0 0 0 0
3 35 1 0 0 0 0
4 9 1 0 0 0 0
5 9 2 0 0 0 0
6 10 1 0 0 0 0
6 14 1 0 0 0 0
6 27 1 0 0 0 0
7 13 1 0 0 0 0
7 32 1 0 0 0 0
8 16 2 0 0 0 0
8 18 1 0 0 0 0
9 24 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
11 17 1 0 0 0 0
12 15 2 0 0 0 0
12 18 1 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
16 23 1 0 0 0 0
17 21 2 0 0 0 0
17 28 1 0 0 0 0
19 22 2 0 0 0 0
19 29 1 0 0 0 0
20 24 2 0 0 0 0
20 30 1 0 0 0 0
21 22 1 0 0 0 0
22 31 1 0 0 0 0
23 25 2 0 0 0 0
23 33 1 0 0 0 0
24 25 1 0 0 0 0
25 34 1 0 0 0 0
26 36 1 0 0 0 0
26 37 1 0 0 0 0
26 38 1 0 0 0 0
M CHG 2 4 -1 9 1
M END
$$$$