BUTA70
-OEChem-04012113282D
47 49 0 1 0 0 0 0 0999 V2000
3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
8.0622 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
7 3 1 1 0 0 0
3 36 1 0 0 0 0
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4 13 1 0 0 0 0
4 14 1 0 0 0 0
5 12 2 0 0 0 0
5 17 1 0 0 0 0
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7 8 1 0 0 0 0
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9 30 1 0 0 0 0
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26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
M END
$$$$