1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21
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19
O=C(C=C1)C=CC1=CCC([O-])=O
O -4.217581 0.062820 0.708597
C -2.974944 0.133030 0.518971
C -2.210966 -1.074673 0.163289
C -0.891411 -1.004786 -0.038961
C -2.277689 1.423156 0.651642
C -0.958643 1.500608 0.450917
C -0.172411 0.293200 0.091660
C 1.153486 0.406229 -0.103400
C 2.038747 -0.754898 -0.469788
C 3.459220 -0.312068 -0.623663
O 3.914341 0.149766 -1.852199
O 4.234401 -0.313086 0.368646
H -2.721383 -2.024831 0.065073
H -0.362610 -1.912469 -0.298863
H -2.836197 2.313424 0.913064
H -0.467735 2.461282 0.554326
H 1.613764 1.383115 0.008317
H 1.982185 -1.533007 0.322130
H 1.695427 -1.196812 -1.429757
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