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NSC 1
ccorina 04030319103D 1 1.00000 0.00000
CORINA 2.61 0041 25.10.2001
15 15 0 0 0 0 0 0 0 0 1 V2000
0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0691 5.2414 0.0323 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 1.2102 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3034 1.9312 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2546 1.9661 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3215 3.2712 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2365 3.3061 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0526 4.0271 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5980 1.1600 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 1.4389 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2641 3.7984 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1643 3.8588 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3843 0.0912 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1608 1.4105 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 1.4206 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
2 8 2 0 0 0 0
3 5 1 0 0 0 0
3 4 1 0 0 0 0
4 6 2 0 0 0 0
4 9 1 0 0 0 0
5 7 2 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 11 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
M END
> <NSC>
1
$$$$
NSC 2
ccorina 04030319103D 1 1.00000 0.00000
CORINA 2.61 0041 25.10.2001
28 31 0 0 0 0 0 0 0 0 1 V2000
-0.0165 1.3666 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2041 6.9305 2.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1892 2.1056 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 4.0208 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7319 5.7338 2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0224 6.1538 2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4205 6.3592 2.7733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1946 -0.7124 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3840 1.3506 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1801 4.7823 2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5376 5.0085 3.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3930 -0.0213 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4019 4.2188 3.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7567 6.5587 2.2741 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5106 4.1804 2.7344 S 0 0 0 0 0 0 0 0 0 0 0 0
3.0264 6.0746 2.0342 S 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 5.7375 0.0045 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6321 2.6151 -0.0192 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 3.4473 0.0074 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 1.8878 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1482 7.9844 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9329 -0.5446 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3079 6.9745 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1876 -1.7924 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5055 4.5777 3.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3299 -0.5584 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4764 3.1655 3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 1 0 0 0 0
1 21 1 0 0 0 0
2 8 2 0 0 0 0
2 7 1 0 0 0 0
2 22 1 0 0 0 0
3 9 1 0 0 0 0
3 23 1 0 0 0 0
4 10 2 0 0 0 0
4 20 1 0 0 0 0
5 18 1 0 0 0 0
5 20 2 0 0 0 0
5 19 1 0 0 0 0
6 17 1 0 0 0 0
6 15 2 0 0 0 0
6 16 1 0 0 0 0
7 15 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
8 24 1 0 0 0 0
9 13 2 0 0 0 0
9 25 1 0 0 0 0
10 19 1 0 0 0 0
10 13 1 0 0 0 0
11 16 1 0 0 0 0
11 14 1 0 0 0 0
12 14 2 0 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
17 18 1 0 0 0 0
M END
> <NSC>
2
$$$$
|
