D0HV3A
-OEChem-04152108462D
42 45 0 0 0 0 0 0 0999 V2000
3.7230 -2.6610 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.3161 -1.2603 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5448 0.5044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6770 2.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9786 -0.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4786 -2.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1081 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5476 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6742 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1137 1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9786 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3552 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2431 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5777 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 -1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6021 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3796 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9749 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5926 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1322 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3616 -1.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1298 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5519 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6115 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9507 0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6093 -0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2710 2.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6103 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8017 3.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9741 3.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6845 2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0459 -0.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4786 -3.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7236 -0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9872 -3.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8620 -1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3955 -2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1380 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5827 -2.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 18 1 0 0 0 0
2 22 1 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 11 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 13 1 0 0 0 0
5 11 2 0 0 0 0
5 16 1 0 0 0 0
6 14 1 0 0 0 0
6 17 1 0 0 0 0
6 36 1 0 0 0 0
7 9 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
15 18 2 0 0 0 0
15 35 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 37 1 0 0 0 0
20 23 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 23 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$