HTS1610-02965621
67 69 0 0 0 0 0 0 0 0999 V2000
4.1608 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 -0.1332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 0.4770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4108 2.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 1.9686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 -0.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6527 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4877 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 -1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6563 1.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 -2.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4027 -0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 2.7270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0267 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8698 -0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 -4.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 -2.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 1.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 4.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 -4.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 -4.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4877 -1.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1103 -6.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3256 2.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2085 4.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2085 4.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 5.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 -2.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8114 -7.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 -1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8734 -0.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1020 -0.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9290 0.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1587 -1.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2281 2.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3156 -0.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2918 -4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9290 -2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9290 -4.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2994 -0.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9137 0.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1203 2.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8452 2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7113 1.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1043 4.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6085 4.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1043 3.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3127 3.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8085 4.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3127 4.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2994 5.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 6.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1176 5.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 -2.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3064 -2.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5816 -3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4257 -6.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2918 -7.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -7.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1176 -1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 -2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2994 -1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 4 1 0 0 0 0
1 8 1 0 0 0 0
2 3 1 0 0 0 0
3 5 1 0 0 0 0
3 9 1 0 0 0 0
4 5 2 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 21 2 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 12 1 0 0 0 0
8 15 2 0 0 0 0
10 13 1 0 0 0 0
10 16 1 0 0 0 0
10 22 2 0 0 0 0
11 14 2 0 0 0 0
11 20 1 0 0 0 0
12 17 1 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 26 1 0 0 0 0
15 18 1 0 0 0 0
16 23 1 0 0 0 0
17 18 2 0 0 0 0
17 29 1 0 0 0 0
19 24 2 0 0 0 0
20 25 2 0 0 0 0
23 30 1 0 0 0 0
23 31 1 0 0 0 0
23 32 1 0 0 0 0
24 25 1 0 0 0 0
24 27 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
9 36 1 0 0 0 0
9 37 1 0 0 0 0
13 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
20 43 1 0 0 0 0
25 44 1 0 0 0 0
28 45 1 0 0 0 0
28 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
30 52 1 0 0 0 0
31 53 1 0 0 0 0
31 54 1 0 0 0 0
31 55 1 0 0 0 0
32 56 1 0 0 0 0
32 57 1 0 0 0 0
32 58 1 0 0 0 0
33 59 1 0 0 0 0
33 60 1 0 0 0 0
33 61 1 0 0 0 0
34 62 1 0 0 0 0
34 63 1 0 0 0 0
34 64 1 0 0 0 0
35 65 1 0 0 0 0
35 66 1 0 0 0 0
35 67 1 0 0 0 0
M END
>
HTS1610-02965621-01
>
Namiki1610
>
NS-013335565-0000
>
C24H32N6O5
>
484.557
>
0
>
1
>
8
>
-8.8774
>
-0.2747
>
1
>
-5.4415
>
2.6096
>
CCC(N(c3ccc(cc3OC)OC)C(Cn2nnc(c1ccc(o1)C)n2)=O)C(NC(C)(C)C)=O
>
HTS1610-02965620
>
ZINC06632178 ZINC06631672
>
40632063 40631809 3178726
$$$$