@MOLECULE 3-benzylidenphthalide 27 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5957 -1.9366 0.0111 O.3 1 UNL1111111111 -0.3577 2 O 3.8271 -1.6998 0.0066 O.2 1 UNL1111111111 -0.3886 3 C 0.9399 0.2903 -0.0024 C.ar 1 UNL1111111111 -0.0177 4 C 2.3530 0.2642 -0.0043 C.ar 1 UNL1111111111 -0.1761 5 C 0.4774 -1.0999 0.0075 C.2 1 UNL1111111111 0.1829 6 C -0.7336 -1.6623 0.0121 C.2 1 UNL1111111111 -0.2245 7 C 0.2574 1.4901 -0.0099 C.ar 1 UNL1111111111 -0.1425 8 C 2.7686 -1.1522 0.0044 C.2 1 UNL1111111111 0.5804 9 C 3.0984 1.4235 -0.0131 C.ar 1 UNL1111111111 -0.0614 10 C -1.9646 -0.8739 0.0087 C.ar 1 UNL1111111111 0.0087 11 C 1.0115 2.6727 -0.0188 C.ar 1 UNL1111111111 -0.1025 12 C 2.4034 2.6424 -0.0205 C.ar 1 UNL1111111111 -0.1627 13 C -2.5297 -0.4572 1.2166 C.ar 1 UNL1111111111 -0.1594 14 C -2.5746 -0.5407 -1.2031 C.ar 1 UNL1111111111 -0.1584 15 C -3.6968 0.3024 1.2083 C.ar 1 UNL1111111111 -0.1415 16 C -3.7415 0.2192 -1.2047 C.ar 1 UNL1111111111 -0.1412 17 C -4.3017 0.6434 -0.0006 C.ar 1 UNL1111111111 -0.1570 18 H -0.8573 -2.7495 0.0182 H 1 UNL1111111111 0.1939 19 H -0.8321 1.5218 -0.0089 H 1 UNL1111111111 0.1743 20 H 4.1882 1.3973 -0.0145 H 1 UNL1111111111 0.1696 21 H 0.4920 3.6318 -0.0247 H 1 UNL1111111111 0.1552 22 H 2.9642 3.5763 -0.0275 H 1 UNL1111111111 0.1583 23 H -2.0562 -0.7268 2.1593 H 1 UNL1111111111 0.1604 24 H -2.1353 -0.8745 -2.1418 H 1 UNL1111111111 0.1603 25 H -4.1378 0.6292 2.1481 H 1 UNL1111111111 0.1497 26 H -4.2172 0.4817 -2.1478 H 1 UNL1111111111 0.1497 27 H -5.2125 1.2377 -0.0041 H 1 UNL1111111111 0.1478 @BOND 1 1 5 1 2 1 8 1 3 2 8 2 4 3 4 ar 5 3 5 1 6 3 7 ar 7 4 8 1 8 4 9 ar 9 5 6 2 10 6 10 1 11 6 18 1 12 7 11 ar 13 7 19 1 14 9 12 ar 15 9 20 1 16 10 13 ar 17 10 14 ar 18 11 12 ar 19 11 21 1 20 12 22 1 21 13 15 ar 22 13 23 1 23 14 16 ar 24 14 24 1 25 15 17 ar 26 15 25 1 27 16 17 ar 28 16 26 1 29 17 27 1