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test1
RDKit 3D
9 9 0 0 0 0 0 0 0 0999 V2000
-1.3818 -0.2920 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6062 -0.1931 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3561 0.1154 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0187 0.2105 -1.1857 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4298 -0.0389 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0219 -0.0343 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5105 -0.2841 1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 0.2472 -0.8844 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3590 0.2693 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
5 1 2 0
M END
$$$$
test2
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
-2.8008 -0.2215 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1976 1.0467 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3399 1.8218 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 1.3404 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6943 0.0762 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5370 -0.6836 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8898 -1.8665 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3381 -1.8516 -0.5368 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4532 -0.6645 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 -0.1825 1.0386 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 -0.0419 2.4978 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9492 -1.2535 0.9145 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5105 1.3219 0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8836 1.1585 -0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 2 0
10 13 1 0
13 14 1 0
9 5 2 0
6 1 1 0
M END
$$$$
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