HTS1710-04347972
50 51 0 0 0 0 0 0 0 0999 V2000
0.3319 1.6271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 -2.8729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5653 -2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 -0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 -2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8642 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5653 -0.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 -0.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5653 -5.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8642 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9301 1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 3.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 3.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8272 2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 4.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5580 -0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1723 -0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 -2.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7618 -2.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7465 -4.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1506 2.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3838 -2.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5653 -5.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3838 -4.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3157 1.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5444 1.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1723 1.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5580 2.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8435 2.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6149 2.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0477 1.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8362 4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 3.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5580 3.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1723 4.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6220 2.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3468 2.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2128 1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1190 0.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5281 -0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9372 0.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0539 5.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7175 5.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 0 0 0 0
3 1 1 0 0 0 0
4 2 1 0 0 0 0
5 3 1 0 0 0 0
6 5 1 0 0 0 0
7 2 1 0 0 0 0
8 1 1 0 0 0 0
9 4 1 0 0 0 0
10 4 2 0 0 0 0
11 3 2 0 0 0 0
12 7 2 0 0 0 0
13 9 2 0 0 0 0
14 8 1 0 0 0 0
15 1 1 0 0 0 0
16 14 1 0 0 0 0
17 16 1 0 0 0 0
18 8 1 0 0 0 0
19 15 1 0 0 0 0
20 17 1 0 0 0 0
21 17 1 0 0 0 0
22 18 1 0 0 0 0
19 22 1 0 0 0 0
13 12 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 27 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
18 40 1 0 0 0 0
19 41 1 0 0 0 0
19 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 49 1 0 0 0 0
22 50 1 0 0 0 0
M END
>
HTS1710-04347972-01
>
Namiki1710
>
NS-019736433-0000
>
C18H28N2O2
>
304.434
>
0
>
0
>
2
>
1
>
40.6200
>
-8.6878
>
-0.0029
>
2.427
>
-3.196
>
CC(CCC2CCCCN2C(CCN1C=CC=CC1=O)=O)C
$$$$