HTS1610-05405843
49 52 0 0 0 0 0 0 0 0999 V2000
3.5817 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5817 1.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 -0.7918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5817 4.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8808 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7779 4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7779 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8808 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4788 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4788 -2.2918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4788 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0770 3.7083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.3154 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0770 6.7083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5817 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4788 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 -3.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8808 -2.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2826 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1013 4.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4641 1.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7630 3.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2664 3.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4951 3.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4787 3.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4787 7.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8351 -0.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6603 6.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7869 6.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1726 5.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 3.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3928 4.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9984 -0.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 -3.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1799 0.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3611 -2.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 7.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6682 7.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3928 5.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 6.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 2 0 0 0 0
4 2 2 0 0 0 0
5 8 1 0 0 0 0
6 7 2 0 0 0 0
7 3 1 0 0 0 0
8 4 1 0 0 0 0
9 5 1 0 0 0 0
10 13 1 0 0 0 0
11 16 1 0 0 0 0
12 1 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
15 24 2 0 0 0 0
16 19 2 0 0 0 0
17 10 1 0 0 0 0
18 7 1 0 0 0 0
19 14 1 0 0 0 0
20 11 1 0 0 0 0
21 5 1 0 0 0 0
22 8 1 0 0 0 0
23 25 2 0 0 0 0
24 26 1 0 0 0 0
25 12 1 0 0 0 0
26 12 2 0 0 0 0
27 28 1 0 0 0 0
28 22 1 0 0 0 0
23 15 1 0 0 0 0
6 4 1 0 0 0 0
21 27 1 0 0 0 0
11 10 2 0 0 0 0
5 29 1 0 0 0 0
6 30 1 0 0 0 0
8 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
13 34 1 0 0 0 0
16 35 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
>
HTS1610-05405843-01
>
Namiki1610
>
NS-018324671-0000
>
C21H21N4OF2
>
383.422
>
1
>
2
>
4
>
-12.0241
>
-4.0602
>
2
>
-3.9473
>
4.2567
>
Oc2cc(C4CCCCN4Cc3ccc(c(c3)F)F)nc(c1ccncc1)n2
>
HTS1610-05405844
$$$$