HTS1710-04956318
62 65 0 0 0 0 0 0 0 0999 V2000
4.0135 4.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4033 5.6717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1533 6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9115 5.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 4.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8988 3.2977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8750 -1.6024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4806 3.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8750 0.8246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9933 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2293 3.4377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9442 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3015 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3015 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9841 4.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4033 8.2699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4113 2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6533 6.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4844 5.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0555 1.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3545 3.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6006 1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8274 5.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9033 8.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1533 9.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6006 -1.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8421 0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4259 1.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8997 0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8997 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5826 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9988 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3692 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0766 6.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 5.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8906 6.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 4.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3955 2.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3933 -0.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1666 2.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9234 1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3501 2.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4322 2.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0055 2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6006 1.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4041 5.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7647 6.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 5.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7992 7.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 8.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7992 8.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6937 9.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4533 10.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7172 9.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6006 -2.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2939 1.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9113 1.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4193 0.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4193 -1.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -0.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 -0.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4319 -1.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 1 0 0 0
4 2 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
7 10 2 0 0 0 0
8 1 1 0 0 0 0
9 17 1 0 0 0 0
10 9 1 0 0 0 0
5 11 1 1 0 0 0
12 8 1 0 0 0 0
13 9 1 0 0 0 0
14 13 1 0 0 0 0
15 11 1 0 0 0 0
16 3 1 0 0 0 0
17 12 1 0 0 0 0
18 3 2 0 0 0 0
19 8 2 0 0 0 0
6 20 1 1 0 0 0
21 15 2 0 0 0 0
22 13 2 0 0 0 0
23 15 1 0 0 0 0
24 16 1 0 0 0 0
25 16 1 0 0 0 0
26 14 2 0 0 0 0
27 20 1 0 0 0 0
28 20 2 0 0 0 0
29 22 1 0 0 0 0
30 29 2 0 0 0 0
31 28 1 0 0 0 0
32 27 2 0 0 0 0
33 31 2 0 0 0 0
4 5 1 0 0 0 0
33 32 1 0 0 0 0
14 7 1 0 0 0 0
26 30 1 0 0 0 0
2 34 1 0 0 0 0
4 35 1 0 0 0 0
4 36 1 0 0 0 0
5 37 1 0 0 0 0
6 38 1 0 0 0 0
10 39 1 0 0 0 0
11 40 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
22 45 1 0 0 0 0
23 46 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
24 49 1 0 0 0 0
24 50 1 0 0 0 0
24 51 1 0 0 0 0
25 52 1 0 0 0 0
25 53 1 0 0 0 0
25 54 1 0 0 0 0
26 55 1 0 0 0 0
27 56 1 0 0 0 0
28 57 1 0 0 0 0
29 58 1 0 0 0 0
30 59 1 0 0 0 0
31 60 1 0 0 0 0
32 61 1 0 0 0 0
33 62 1 0 0 0 0
M END
>
HTS1710-04956318-01
>
Namiki1710
>
NS-021577937-0000
>
C25H29N5O3
>
447.539
>
0
>
1
>
4
>
3
>
87.5400
>
-8.7218
>
0.2656
>
2.456
>
-4.311
>
CC(NC4CC(N(C4c1ccccc1)C(CCn3cnc2ccccc32)=O)C(N(C)C)=O)=O
>
129455437
$$$$