@MOLECULE 2-propyn-1-yl 4-methoxybenzoate 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0911 -0.2654 0.0008 O.3 1 UNL1111111111 -0.3091 2 O 2.1556 -0.0632 -0.0011 O.3 1 UNL1111111111 -0.4151 3 O 1.7748 2.1463 -0.0001 O.2 1 UNL1111111111 -0.5150 4 C -0.0736 0.6132 -0.0009 C.ar 1 UNL1111111111 -0.2324 5 C -2.7508 -0.0776 -0.0001 C.ar 1 UNL1111111111 0.3023 6 C -1.0513 1.6202 0.0005 C.ar 1 UNL1111111111 -0.0040 7 C -0.4444 -0.7328 -0.0021 C.ar 1 UNL1111111111 0.0060 8 C -2.3934 1.2842 0.0009 C.ar 1 UNL1111111111 -0.2866 9 C -1.7889 -1.0912 -0.0017 C.ar 1 UNL1111111111 -0.3341 10 C 1.3330 1.0229 -0.0007 C.2 1 UNL1111111111 0.6153 11 C -4.5688 -1.6051 0.0011 C.3 1 UNL1111111111 -0.2042 12 C 3.5647 0.2309 0.0010 C.3 1 UNL1111111111 0.0146 13 C 4.2168 -1.0487 0.0010 C.1 1 UNL1111111111 -0.0955 14 C 4.7583 -2.1309 0.0009 C.1 1 UNL1111111111 -0.1750 15 H -0.7408 2.6708 0.0012 H 1 UNL1111111111 0.1751 16 H 0.3239 -1.5125 -0.0032 H 1 UNL1111111111 0.1699 17 H -3.1707 2.0446 0.0022 H 1 UNL1111111111 0.1793 18 H -2.0693 -2.1383 -0.0025 H 1 UNL1111111111 0.1690 19 H -4.2516 -2.1329 0.9058 H 1 UNL1111111111 0.1380 20 H -4.2544 -2.1322 -0.9051 H 1 UNL1111111111 0.1380 21 H -5.6585 -1.4606 0.0029 H 1 UNL1111111111 0.1568 22 H 3.7983 0.8385 -0.9024 H 1 UNL1111111111 0.1608 23 H 3.7959 0.8372 0.9059 H 1 UNL1111111111 0.1608 24 H 5.2251 -3.0472 0.0008 H 1 UNL1111111111 0.1852 @BOND 1 1 5 1 2 1 11 1 3 2 10 1 4 2 12 1 5 3 10 2 6 4 6 ar 7 4 7 ar 8 4 10 1 9 5 8 ar 10 5 9 ar 11 6 8 ar 12 6 15 1 13 7 9 ar 14 7 16 1 15 8 17 1 16 9 18 1 17 11 19 1 18 11 20 1 19 11 21 1 20 12 13 1 21 12 22 1 22 12 23 1 23 13 14 3 24 14 24 1