D04MBS
Wcorina 11010620253D 1 1.00000 0.00000 0
CORINA evaluation license 3.40 0067 02.08.2006
50 52 0 1 0 999 V2000
-0.0162 1.3411 0.0094 N 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
1.2036 2.0311 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9587 -2.3795 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3088 -0.7410 0.0959 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0590 -2.1119 0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2866 2.0706 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7017 -3.7897 2.3301 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7154 2.3130 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0376 -0.6232 -0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 1.6852 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0753 -1.4852 2.6761 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0035 -0.7777 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1856 -3.7621 3.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 1.9170 2.3566 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9023 0.5986 -1.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2791 -4.5918 2.7288 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 2.9687 1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 -5.1722 3.9693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 3.0515 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3911 2.3452 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2659 -5.8724 4.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6844 -5.7634 3.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6520 3.7135 0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6271 3.3583 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0127 -7.0569 3.8201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0624 -7.1659 5.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 -7.7593 4.6902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9547 -0.2374 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 -2.8271 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 3.0261 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0473 1.4825 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2002 -4.3474 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0529 -1.0396 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5219 -1.5224 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3515 -3.2821 4.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0961 -3.2025 3.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8999 0.7298 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.6631 -2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7789 -3.8095 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 3.1002 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6775 3.3276 1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1552 2.0701 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 -5.4091 5.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3193 -5.2146 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8386 4.5092 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5762 3.8736 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9044 -7.5185 3.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5700 -7.7130 5.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 -8.7697 4.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 7 1 0 0 0 0
2 5 1 0 0 0 0
2 10 2 0 0 0 0
3 11 2 0 0 0 0
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23 26 1 0 0 0 0
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24 25 1 0 0 0 0
24 46 1 0 0 0 0
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26 28 2 0 0 0 0
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27 28 1 0 0 0 0
27 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
$$$$