D07ETD
-OEChem-10101305022D
46 49 0 1 0 0 0 0 0999 V2000
5.2686 3.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6146 2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6183 4.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2208 5.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.3813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8066 2.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8550 2.3318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8083 3.6392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8578 3.9499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5504 4.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3595 2.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2926 1.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3602 3.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 4.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1695 5.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0025 4.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1814 2.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1843 3.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7479 0.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0302 6.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -6.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
11 2 1 1 0 0 0
2 34 1 0 0 0 0
13 3 1 1 0 0 0
3 35 1 0 0 0 0
4 15 1 0 0 0 0
4 37 1 0 0 0 0
5 27 1 0 0 0 0
5 46 1 0 0 0 0
12 6 1 6 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
7 17 2 0 0 0 0
7 18 1 0 0 0 0
8 16 1 0 0 0 0
8 20 2 0 0 0 0
9 19 1 0 0 0 0
9 21 1 0 0 0 0
9 38 1 0 0 0 0
10 19 2 0 0 0 0
10 20 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
13 14 1 0 0 0 0
13 30 1 0 0 0 0
14 15 1 6 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 18 2 0 0 0 0
17 36 1 0 0 0 0
18 19 1 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 42 1 0 0 0 0
24 26 2 0 0 0 0
24 43 1 0 0 0 0
25 27 2 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
M END
$$$$