HTS2204-00158428
45 49 0 0 0 0 0 0 0 0999 V2000
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7.5129 -12.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6717 -1.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.0658 -0.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6801 -1.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6801 1.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0658 0.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2860 0.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6717 1.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.0089 6.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0938 4.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
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13 7 1 0 0 0 0
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8 27 1 0 0 0 0
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15 29 1 0 0 0 0
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16 31 1 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
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22 42 1 0 0 0 0
24 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
M END
>
HTS2204-00158428-01
>
Namiki2204
>
NS-000308244-0000
>
C17H19N7O2
>
353.386
>
0
>
1
>
6
>
0
>
105.7300
>
-9.3973
>
-0.6572
>
-3.649
>
2.189
>
-5.529
>
c1cnc(C(N3CCC(n5nnc(c4onc(C2CC2)n4)c5)CC3)=O)c1
>
KSH2210-02215883
>
91891975
$$$$