@MOLECULE (6r,7r)-6,7-dihydroxy-7-methyl-3-[(1e,3e)-1,3-pentadien-1-yl]-1,5,6,7-tetrahydro-8h-isochromen-8-one 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7986 -0.6358 -0.1820 O.3 1 UNL1111111111 -0.5124 2 O -3.3829 1.2354 -1.5919 O.3 1 UNL1111111111 -0.5526 3 O 1.3617 -0.8453 -0.0613 O.2 1 UNL1111111111 -0.3509 4 O -2.6059 -2.2098 -0.4473 O.2 1 UNL1111111111 -0.4252 5 C -3.5856 -0.1665 0.3452 C.3 1 UNL1111111111 0.1660 6 C -3.3360 1.2698 -0.1835 C.3 1 UNL1111111111 0.1073 7 C -1.9948 1.8323 0.2979 C.3 1 UNL1111111111 -0.3708 8 C -0.8759 0.8490 0.1673 C.2 1 UNL1111111111 0.1952 9 C -1.0896 -0.4773 -0.0038 C.2 1 UNL1111111111 -0.3605 10 C -2.4230 -1.0767 -0.0780 C.2 1 UNL1111111111 0.4158 11 C -3.7579 -0.2256 1.8575 C.3 1 UNL1111111111 -0.4616 12 C 0.0485 -1.4246 -0.1425 C.3 1 UNL1111111111 0.0150 13 C 0.4665 1.3481 0.2279 C.2 1 UNL1111111111 -0.4550 14 C 1.5072 0.4791 0.1102 C.2 1 UNL1111111111 0.3700 15 C 2.9154 0.8504 0.1542 C.2 1 UNL1111111111 -0.2727 16 C 3.9149 -0.0384 0.0066 C.2 1 UNL1111111111 -0.0307 17 C 5.3138 0.3500 0.0519 C.2 1 UNL1111111111 -0.2372 18 C 6.3040 -0.5434 -0.0994 C.2 1 UNL1111111111 -0.0538 19 C 7.7424 -0.1739 -0.0591 C.3 1 UNL1111111111 -0.4602 20 H -4.1916 1.9384 0.0673 H 1 UNL1111111111 0.1606 21 H -2.0741 2.1605 1.3576 H 1 UNL1111111111 0.1779 22 H -1.7656 2.7586 -0.2753 H 1 UNL1111111111 0.1811 23 H -2.8394 0.0375 2.3910 H 1 UNL1111111111 0.1544 24 H -4.5640 0.4403 2.1894 H 1 UNL1111111111 0.1632 25 H -4.0512 -1.2429 2.1642 H 1 UNL1111111111 0.1778 26 H 0.0596 -2.1847 0.6676 H 1 UNL1111111111 0.1496 27 H 0.0520 -1.9333 -1.1312 H 1 UNL1111111111 0.1538 28 H 0.6319 2.4088 0.3653 H 1 UNL1111111111 0.1781 29 H -4.7883 -0.5709 -1.1664 H 1 UNL1111111111 0.3302 30 H -2.5830 0.8111 -1.9671 H 1 UNL1111111111 0.3235 31 H 3.1074 1.9123 0.3158 H 1 UNL1111111111 0.1721 32 H 3.7063 -1.1025 -0.1562 H 1 UNL1111111111 0.1635 33 H 5.5216 1.4081 0.2149 H 1 UNL1111111111 0.1599 34 H 6.1043 -1.6041 -0.2631 H 1 UNL1111111111 0.1451 35 H 7.9105 0.8985 0.1098 H 1 UNL1111111111 0.1569 36 H 8.2694 -0.7129 0.7441 H 1 UNL1111111111 0.1630 37 H 8.2466 -0.4344 -1.0030 H 1 UNL1111111111 0.1634 @BOND 1 1 5 1 2 1 29 1 3 2 6 1 4 2 30 1 5 3 12 1 6 3 14 1 7 4 10 2 8 5 6 1 9 5 10 1 10 5 11 1 11 6 7 1 12 6 20 1 13 7 8 1 14 7 21 1 15 7 22 1 16 8 9 2 17 8 13 1 18 9 10 1 19 9 12 1 20 11 23 1 21 11 24 1 22 11 25 1 23 12 26 1 24 12 27 1 25 13 14 2 26 13 28 1 27 14 15 1 28 15 16 2 29 15 31 1 30 16 17 1 31 16 32 1 32 17 18 2 33 17 33 1 34 18 19 1 35 18 34 1 36 19 35 1 37 19 36 1 38 19 37 1