B28JTM
-OEChem-04022115583D
49 52 0 1 0 0 0 0 0999 V2000
-8.9470 -0.1621 -1.0895 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2696 2.6440 -1.5225 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -1.2016 1.3923 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -3.7623 0.8331 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7282 0.8309 1.0771 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6364 -0.0211 -0.3298 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3610 -2.7668 -0.2959 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8249 0.1891 0.3460 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8390 2.4863 2.0122 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7210 -1.4623 -0.7774 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5778 -1.3753 0.3093 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4015 -0.7116 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7233 0.5460 0.4701 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6987 -0.8939 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7454 0.3712 -1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9175 -1.3167 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7207 1.0573 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8350 1.4285 -1.7554 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1161 -2.7941 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4677 0.0013 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7512 -0.7668 -0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5030 1.4224 0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0658 -0.0609 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9228 1.1961 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2289 1.6308 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2960 -0.5003 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0070 2.0407 0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3966 0.3454 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2534 1.6060 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1456 -1.5895 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -0.9501 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 -0.8592 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5131 0.3660 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1664 -0.2411 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7845 0.7439 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0487 -0.5135 -2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4255 -2.1119 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 -1.4547 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3908 0.2407 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3242 1.8987 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 1.4821 -2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9539 -3.5859 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7629 -1.6920 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4285 -0.9569 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0537 2.2693 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3886 1.5408 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3938 -1.4766 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 3.0144 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1141 2.2604 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
2 18 1 0 0 0 0
3 14 2 0 0 0 0
4 19 2 0 0 0 0
5 20 2 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 10 1 0 0 0 0
7 19 1 0 0 0 0
7 42 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 25 3 0 0 0 0
10 12 1 0 0 0 0
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10 30 1 0 0 0 0
11 12 1 0 0 0 0
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12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 17 1 0 0 0 0
13 25 1 0 0 0 0
13 34 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
21 23 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
22 24 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
23 24 2 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
26 28 2 0 0 0 0
26 47 1 0 0 0 0
27 29 2 0 0 0 0
27 48 1 0 0 0 0
28 29 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$