D04XXE
-OEChem-10101305032D
51 55 0 1 0 0 0 0 0999 V2000
6.5824 -1.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8506 -0.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 1.7815 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.0349 -1.3938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2943 0.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0718 0.0248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8221 -0.3961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2848 1.3220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8244 -0.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0538 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3751 1.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1708 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6708 1.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4961 2.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8493 -0.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2699 0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0474 0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4482 2.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0566 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5503 -0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5267 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3598 -2.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 -2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4835 1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0371 -1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8247 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3254 -1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1015 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6258 0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3875 1.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 1.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4329 1.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8088 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1123 2.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4119 2.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8765 2.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4888 0.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4822 -1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6378 2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0385 2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2586 3.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2624 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8272 -3.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 -2.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2219 -3.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9643 -2.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3803 -1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1680 -2.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 23 1 0 0 0 0
2 15 2 0 0 0 0
3 5 1 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
4 12 1 0 0 0 0
4 20 1 0 0 0 0
4 41 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 26 1 6 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
6 15 1 6 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 27 1 6 0 0 0
8 10 1 0 0 0 0
8 14 1 1 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 16 2 0 0 0 0
13 17 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 19 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 20 1 0 0 0 0
18 21 2 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 22 2 0 0 0 0
21 24 1 0 0 0 0
21 45 1 0 0 0 0
22 25 1 0 0 0 0
22 46 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 25 2 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
M END
$$$$