HTS1710-05386576
48 50 0 0 0 0 0 0 0 0999 V2000
1.5762 3.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 1.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0218 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6200 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9189 1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9189 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6200 3.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 3.1173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -0.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 -2.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1744 -3.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4734 -2.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -3.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 -2.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1494 -3.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 -2.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5311 -2.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1494 -0.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3710 4.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0958 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3136 3.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 3.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4075 0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6201 0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4385 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4385 3.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6201 4.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 1.4311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1671 0.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3950 -1.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2681 -2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9930 -2.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8591 -3.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5762 -4.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9247 -3.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 -3.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3035 -2.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6353 -2.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1311 -2.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6353 -1.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 1.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
5 10 2 0 0 0 0
3 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
18 23 1 0 0 0 0
12 23 2 0 0 0 0
1 24 1 0 0 0 0
1 25 1 0 0 0 0
1 26 1 0 0 0 0
2 27 1 0 0 0 0
2 28 1 0 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
6 31 1 0 0 0 0
7 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
13 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 44 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
3 48 1 0 0 0 0
M END
>
HTS1710-05386576-01
>
Namiki1710
>
NS-022275589-0000
>
C19H25N2O2
>
313.421
>
1
>
1
>
3
>
2
>
35.7900
>
-11.3727
>
-3.3709
>
4.628
>
-5.646
>
COc2cc(c3OC(Cc3c2)C)CN(Cc1ccccn1)CC
>
132290557
$$$$