HTS2204-04822029
46 49 0 0 0 0 0 0 0 0999 V2000
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-1.4655 4.1642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7155 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4080 5.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -5.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 -7.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 3.8506 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 6.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5836 -0.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9907 -6.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2896 6.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 -5.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1878 7.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6796 7.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1959 0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0715 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 -5.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2906 6.8108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9693 0.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1032 -0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3784 -0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0540 -8.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6506 -8.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4075 -6.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 -6.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8863 6.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 -4.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6481 -4.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4097 -7.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4904 -6.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9437 8.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0323 8.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 1 1 0 0 0 0
4 3 2 0 0 0 0
5 6 1 0 0 0 0
6 8 1 0 0 0 0
7 2 2 0 0 0 0
8 13 1 0 0 0 0
9 8 2 0 0 0 0
10 9 1 0 0 0 0
11 5 1 0 0 0 0
12 2 1 0 0 0 0
13 12 1 0 0 0 0
14 1 1 0 0 0 0
15 11 2 0 0 0 0
16 3 1 0 0 0 0
17 21 1 0 0 0 0
18 15 1 0 0 0 0
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22 24 1 0 0 0 0
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24 16 1 0 0 0 0
25 16 1 0 0 0 0
26 19 2 0 0 0 0
27 23 2 0 0 0 0
4 7 1 0 0 0 0
17 22 1 0 0 0 0
5 10 2 0 0 0 0
27 26 1 0 0 0 0
13 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
16 31 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
M END
>
HTS2204-04822029-01
>
Namiki2204
>
NS-020189360-0000
>
C17H19N6OFS2
>
406.508
>
0
>
2
>
5
>
1
>
91.7400
>
-9.3631
>
-1.3024
>
-3.570
>
1.798
>
-5.643
>
Fc2ccccc2c3nnc(C(Sc4nnc(n4N)C1CCOCC1)C)s3
>
99787283 99787282 86816922
$$$$