@MOLECULE asarone 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4438 2.3208 -0.3791 O.3 1 UNL1111111111 -0.3398 2 O 2.2388 -1.7216 0.2127 O.3 1 UNL1111111111 -0.2737 3 O 3.0071 0.8097 0.4042 O.3 1 UNL1111111111 -0.3172 4 C -1.0310 -0.0347 -0.1918 C.ar 1 UNL1111111111 -0.0178 5 C -0.5677 1.2844 -0.1447 C.ar 1 UNL1111111111 0.1438 6 C 1.2447 -0.8019 0.0975 C.ar 1 UNL1111111111 0.1561 7 C 1.6882 0.5380 0.1453 C.ar 1 UNL1111111111 0.1201 8 C -0.1049 -1.0809 -0.0786 C.ar 1 UNL1111111111 -0.2674 9 C 0.7850 1.5848 0.0263 C.ar 1 UNL1111111111 -0.2155 10 C -2.4469 -0.3175 -0.3883 C.2 1 UNL1111111111 -0.1817 11 C -3.0309 -1.4330 0.0706 C.2 1 UNL1111111111 -0.1108 12 C -2.0321 2.8093 0.8235 C.3 1 UNL1111111111 -0.1956 13 C 1.8354 -3.0829 0.2933 C.3 1 UNL1111111111 -0.2148 14 C -4.4558 -1.7797 -0.1721 C.3 1 UNL1111111111 -0.4495 15 C 3.7753 0.8994 -0.7954 C.3 1 UNL1111111111 -0.1990 16 H -0.4582 -2.1064 -0.1483 H 1 UNL1111111111 0.1691 17 H 1.1218 2.6187 0.0615 H 1 UNL1111111111 0.1835 18 H -2.9996 0.4408 -0.9487 H 1 UNL1111111111 0.1694 19 H -2.4819 -2.1696 0.6583 H 1 UNL1111111111 0.1420 20 H -2.7125 3.5895 0.4632 H 1 UNL1111111111 0.1438 21 H -1.2663 3.2324 1.4784 H 1 UNL1111111111 0.1304 22 H -2.5898 2.0170 1.3343 H 1 UNL1111111111 0.1306 23 H 1.3815 -3.4108 -0.6467 H 1 UNL1111111111 0.1335 24 H 1.1685 -3.2531 1.1429 H 1 UNL1111111111 0.1359 25 H 2.7955 -3.5911 0.4573 H 1 UNL1111111111 0.1521 26 H -4.5444 -2.7498 -0.6798 H 1 UNL1111111111 0.1549 27 H -5.0138 -1.8604 0.7726 H 1 UNL1111111111 0.1549 28 H -4.9767 -1.0435 -0.7981 H 1 UNL1111111111 0.1536 29 H 3.3960 1.7037 -1.4341 H 1 UNL1111111111 0.1293 30 H 3.7752 -0.0586 -1.3229 H 1 UNL1111111111 0.1336 31 H 4.7775 1.1357 -0.4197 H 1 UNL1111111111 0.1463 @BOND 1 1 5 1 2 1 12 1 3 2 6 1 4 2 13 1 5 3 7 1 6 3 15 1 7 4 5 ar 8 4 8 ar 9 4 10 1 10 5 9 ar 11 6 7 ar 12 6 8 ar 13 7 9 ar 14 8 16 1 15 9 17 1 16 10 11 2 17 10 18 1 18 11 14 1 19 11 19 1 20 12 20 1 21 12 21 1 22 12 22 1 23 13 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1