B90PQV
-OEChem-04012118212D
55 59 0 0 0 0 0 0 0999 V2000
6.3465 0.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6971 0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5337 0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -2.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5632 2.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5119 0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9270 1.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0553 2.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8311 2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2067 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1951 1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9386 0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0272 3.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0784 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8271 3.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9191 3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6971 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4292 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3427 2.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0119 1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0064 1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6546 2.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4791 0.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0856 -0.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4832 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3616 3.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9095 4.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -0.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7998 -2.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5632 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4716 2.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -3.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0712 0.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.6230 1.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9416 2.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 16 1 0 0 0 0
2 23 1 0 0 0 0
2 32 1 0 0 0 0
3 26 1 0 0 0 0
3 33 1 0 0 0 0
4 25 2 0 0 0 0
5 8 1 0 0 0 0
5 29 1 0 0 0 0
6 19 2 0 0 0 0
6 28 1 0 0 0 0
7 25 1 0 0 0 0
7 29 1 0 0 0 0
7 45 1 0 0 0 0
8 31 2 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
9 15 1 0 0 0 0
10 14 1 0 0 0 0
10 17 1 0 0 0 0
11 20 2 0 0 0 0
11 25 1 0 0 0 0
12 14 2 0 0 0 0
12 18 1 0 0 0 0
13 16 2 0 0 0 0
13 19 1 0 0 0 0
13 21 1 0 0 0 0
14 35 1 0 0 0 0
15 18 2 0 0 0 0
15 36 1 0 0 0 0
16 27 1 0 0 0 0
17 22 2 0 0 0 0
17 38 1 0 0 0 0
18 37 1 0 0 0 0
19 24 1 0 0 0 0
20 22 1 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
23 26 1 0 0 0 0
24 26 2 0 0 0 0
24 42 1 0 0 0 0
27 28 2 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 46 1 0 0 0 0
31 34 1 0 0 0 0
32 47 1 0 0 0 0
32 48 1 0 0 0 0
32 49 1 0 0 0 0
33 50 1 0 0 0 0
33 51 1 0 0 0 0
33 52 1 0 0 0 0
34 53 1 0 0 0 0
34 54 1 0 0 0 0
34 55 1 0 0 0 0
M END
$$$$