D01SPH
-OEChem-10191522052D
35 35 0 1 0 0 0 0 0999 V2000
3.1969 -0.5857 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.6817 -1.2781 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.9137 -0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6817 0.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0232 0.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1817 -2.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0388 -2.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6817 -1.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3706 -1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5509 2.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0157 0.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0477 1.0879 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.8567 1.6757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.0477 0.0879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.1817 -0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2387 1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5477 2.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5477 2.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8078 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9537 1.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0477 -0.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6723 1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9287 1.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1541 2.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4829 3.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 3.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9412 2.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -0.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9917 0.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4406 0.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8017 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2509 -2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1406 1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
1 10 2 0 0 0 0
1 16 1 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
2 9 2 0 0 0 0
2 16 1 0 0 0 0
3 15 1 0 0 0 0
3 29 1 0 0 0 0
4 16 1 0 0 0 0
4 30 1 0 0 0 0
5 31 1 0 0 0 0
6 32 1 0 0 0 0
7 33 1 0 0 0 0
8 34 1 0 0 0 0
11 20 1 0 0 0 0
11 35 1 0 0 0 0
12 20 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
14 18 1 0 0 0 0
14 20 1 0 0 0 0
14 21 1 0 0 0 0
15 16 1 0 0 0 0
15 22 1 0 0 0 0
17 19 1 0 0 0 0
17 23 1 0 0 0 0
17 24 1 0 0 0 0
18 19 1 0 0 0 0
18 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
19 28 1 0 0 0 0
M END
$$$$