HTS2204-01059356
55 58 0 0 0 0 0 0 0 0999 V2000
1.4343 3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6477 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4343 4.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1843 1.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0744 3.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6843 1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7333 5.7479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1891 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 -0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7333 7.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0322 4.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4126 -1.3943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6892 0.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0322 7.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3313 5.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4690 -2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3313 7.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1141 -6.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.6095 -7.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.9797 -6.5963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8230 -5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8434 4.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2290 5.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7928 3.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5473 3.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6620 2.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8712 1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1425 7.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 7.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 4.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 4.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0093 -1.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 8.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 8.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9222 5.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5366 5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -4.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 -1.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4967 -5.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4392 -3.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5749 -6.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2796 -6.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4849 -7.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2689 -4.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2137 6.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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2 5 1 0 0 0 0
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8 11 1 0 0 0 0
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19 21 2 0 0 0 0
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25 26 1 0 0 0 0
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22 23 2 0 0 0 0
28 29 1 0 0 0 0
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6 33 1 0 0 0 0
6 34 1 0 0 0 0
9 35 1 0 0 0 0
9 36 1 0 0 0 0
9 37 1 0 0 0 0
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12 41 1 0 0 0 0
13 42 1 0 0 0 0
15 43 1 0 0 0 0
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16 45 1 0 0 0 0
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22 50 1 0 0 0 0
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29 54 1 0 0 0 0
8 55 1 0 0 0 0
M END
>
HTS2204-01059356-01
>
Namiki2204
>
NS-007136056-0000
>
C21H25N5O3
>
395.463
>
0
>
1
>
5
>
0
>
85.4200
>
-10.9399
>
-4.2750
>
-3.500
>
2.089
>
-4.951
>
CCc4oc(C(Nc2ccc(Cn3ncnc3)cc2)=O)cc4CN1CCOCC1
>
46969047
$$$$