D04PKD
-OEChem-10101305022D
45 47 0 1 0 0 0 0 0999 V2000
8.0678 -0.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1705 -2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3785 -3.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8615 0.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0248 -2.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2142 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 1.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1216 -1.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1216 -0.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0678 -2.2357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1705 -0.6219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6514 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5827 -1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3570 -3.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8834 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6676 -4.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 1.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6461 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 2.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9563 3.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 4.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1227 -2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1227 -0.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6803 -2.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6089 -0.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1123 -1.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1123 -1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 -1.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 -1.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0538 -4.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6470 -4.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9892 1.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 1.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5745 1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5183 -5.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2528 -4.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7740 -3.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8942 2.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5628 3.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3936 3.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0621 4.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 5.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 8 1 0 0 0 0
2 13 1 0 0 0 0
10 3 1 1 0 0 0
3 14 1 0 0 0 0
11 4 1 6 0 0 0
4 15 1 0 0 0 0
5 14 2 0 0 0 0
6 15 2 0 0 0 0
7 15 1 0 0 0 0
7 17 1 0 0 0 0
7 35 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 6 0 0 0
9 11 1 0 0 0 0
9 26 1 6 0 0 0
10 12 1 0 0 0 0
10 27 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
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
16 18 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 41 1 0 0 0 0
21 23 2 0 0 0 0
21 42 1 0 0 0 0
22 24 2 0 0 0 0
22 43 1 0 0 0 0
23 24 1 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
M END
$$$$