B89PFN
-OEChem-04012118282D
57 59 0 1 0 0 0 0 0999 V2000
8.1913 4.6176 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9146 5.4055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.2349 4.8987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3269 4.5966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.4055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 3.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4688 4.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 0.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4507 3.3974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.4055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -0.8177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0687 2.2218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -1.1268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7281 3.5784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6417 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3214 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3462 2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3642 3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1552 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1732 3.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0868 3.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8958 3.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8777 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7913 2.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0877 4.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2950 4.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5656 2.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6489 3.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7502 2.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0744 1.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9305 1.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1980 3.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7908 1.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6568 1.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5196 2.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0016 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7550 -1.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4622 3.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8129 1.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2929 1.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 27 1 0 0 0 0
2 18 1 0 0 0 0
3 18 1 0 0 0 0
4 18 1 0 0 0 0
5 36 1 0 0 0 0
6 15 1 0 0 0 0
6 44 1 0 0 0 0
7 20 2 0 0 0 0
8 22 2 0 0 0 0
9 16 1 0 0 0 0
9 19 1 0 0 0 0
9 20 1 0 0 0 0
10 17 1 0 0 0 0
10 22 1 0 0 0 0
10 43 1 0 0 0 0
11 12 1 0 0 0 0
11 25 1 0 0 0 0
11 28 1 0 0 0 0
12 26 2 0 0 0 0
13 24 1 0 0 0 0
13 32 2 0 0 0 0
14 25 1 0 0 0 0
14 49 1 0 0 0 0
14 50 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
19 21 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 24 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 23 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
24 27 2 0 0 0 0
26 48 1 0 0 0 0
27 29 1 0 0 0 0
28 30 2 0 0 0 0
28 31 1 0 0 0 0
29 33 2 0 0 0 0
29 51 1 0 0 0 0
30 34 1 0 0 0 0
30 52 1 0 0 0 0
31 35 2 0 0 0 0
31 53 1 0 0 0 0
32 33 1 0 0 0 0
32 54 1 0 0 0 0
33 55 1 0 0 0 0
34 36 2 0 0 0 0
34 56 1 0 0 0 0
35 36 1 0 0 0 0
35 57 1 0 0 0 0
M END
$$$$