HTS2204-06056511
49 51 0 0 0 0 0 0 0 0999 V2000
2.0838 -0.0055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0838 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2246 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6572 -1.9690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6572 0.4581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6818 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 -0.7555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 -2.2555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6818 -1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4746 -2.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4746 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 2.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9746 -2.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9808 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9746 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9808 -2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7246 -3.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7246 1.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7246 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2799 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5788 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8779 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2245 1.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2245 -0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9745 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 -2.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9108 0.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5952 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3665 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3665 -1.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5005 -2.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7756 -2.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4246 -3.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1842 -3.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4246 2.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4246 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6657 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8943 -0.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1931 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9644 1.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2636 0.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3975 -0.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6727 -0.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5245 2.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5245 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5745 0.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 5 2 0 0 0 0
4 2 2 0 0 0 0
5 1 1 0 0 0 0
6 1 1 0 0 0 0
7 6 1 0 0 0 0
8 3 1 0 0 0 0
9 2 1 0 0 0 0
10 7 2 0 0 0 0
11 8 1 0 0 0 0
12 8 1 0 0 0 0
13 6 2 0 0 0 0
14 11 2 0 0 0 0
15 7 1 0 0 0 0
16 12 1 0 0 0 0
17 10 1 0 0 0 0
18 11 1 0 0 0 0
19 16 1 0 0 0 0
20 16 2 0 0 0 0
21 15 1 0 0 0 0
22 21 1 0 0 0 0
23 22 1 0 0 0 0
24 19 2 0 0 0 0
25 20 1 0 0 0 0
26 25 2 0 0 0 0
4 3 1 0 0 0 0
9 10 1 0 0 0 0
24 26 1 0 0 0 0
9 27 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
17 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
23 44 1 0 0 0 0
23 45 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
>
HTS2204-06056511-01
>
Namiki2204
>
NS-023813307-0000
>
C19H23N5O2
>
353.426
>
0
>
1
>
4
>
0
>
80.1200
>
-9.2490
>
-0.5299
>
-2.757
>
1.542
>
-5.322
>
CCCCC2=C(Nc3nc(N(Cc1ccccc1)C(=O)C)nn3C2=O)C
>
KSH2210-00868726
$$$$