@MOLECULE 4-methoxy-2,6,7-trimethyl-1,4-dihydro-2h-3,5-dioxa-phenanthren-8-one 38 40 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.0316 0.6060 0.6753 O.3 1 UNL1111111 -0.4507 2 O 1.0834 1.1731 0.2760 O.2 1 UNL1111111 -0.2633 3 O -1.6328 1.7068 -0.7865 O.3 1 UNL1111111 -0.4111 4 O 3.6376 -1.9676 -0.2374 O.2 1 UNL1111111 -0.4670 5 C -2.8165 -1.7135 0.1023 C.3 1 UNL1111111 -0.3605 6 C -0.8037 -0.2264 0.1910 C.ar 1 UNL1111111 -0.2245 7 C -3.5575 -0.3987 -0.1858 C.3 1 UNL1111111 0.1582 8 C -1.3401 -1.5058 0.0406 C.ar 1 UNL1111111 0.1419 9 C -1.6991 0.9580 0.4105 C.3 1 UNL1111111 0.3357 10 C 0.5908 -0.0906 0.1276 C.ar 1 UNL1111111 0.2842 11 C 1.4258 -1.1932 -0.0625 C.ar 1 UNL1111111 -0.2990 12 C -0.5094 -2.6228 -0.1441 C.ar 1 UNL1111111 -0.2729 13 C -5.0350 -0.4773 0.1818 C.3 1 UNL1111111 -0.4732 14 C 0.8658 -2.4685 -0.1899 C.ar 1 UNL1111111 0.0097 15 C 2.8845 -1.0263 -0.1134 C.ar 1 UNL1111111 0.4981 16 C 3.3356 0.3659 0.0170 C.ar 1 UNL1111111 -0.2595 17 C 2.4473 1.3579 0.2093 C.ar 1 UNL1111111 0.2724 18 C 4.8055 0.5633 -0.0546 C.3 1 UNL1111111 -0.4010 19 C 2.6954 2.8128 0.3815 C.3 1 UNL1111111 -0.4574 20 C -2.4591 2.8575 -0.7721 C.3 1 UNL1111111 -0.1858 21 H -3.1453 -2.5057 -0.5994 H 1 UNL1111111 0.1643 22 H -3.0832 -2.0851 1.1178 H 1 UNL1111111 0.1772 23 H -3.4065 -0.0767 -1.2408 H 1 UNL1111111 0.1360 24 H -1.4362 1.5835 1.2932 H 1 UNL1111111 0.1397 25 H -0.9512 -3.6097 -0.2530 H 1 UNL1111111 0.1649 26 H -5.5441 0.4672 -0.0410 H 1 UNL1111111 0.1571 27 H -5.5479 -1.2744 -0.3668 H 1 UNL1111111 0.1508 28 H -5.1719 -0.6615 1.2560 H 1 UNL1111111 0.1615 29 H 1.5289 -3.3325 -0.3124 H 1 UNL1111111 0.1765 30 H 5.1068 1.6055 -0.2000 H 1 UNL1111111 0.1406 31 H 5.2307 -0.0207 -0.8905 H 1 UNL1111111 0.1710 32 H 5.3032 0.1917 0.8565 H 1 UNL1111111 0.1613 33 H 1.9856 3.2737 1.0898 H 1 UNL1111111 0.1781 34 H 2.5783 3.3469 -0.5767 H 1 UNL1111111 0.1786 35 H 3.7109 3.0189 0.7538 H 1 UNL1111111 0.1734 36 H -2.2223 3.3355 -1.7266 H 1 UNL1111111 0.1423 37 H -2.2118 3.5179 0.0643 H 1 UNL1111111 0.1203 38 H -3.5193 2.5816 -0.7310 H 1 UNL1111111 0.1317 @BOND 1 36 20 1 2 23 7 1 3 31 18 1 4 3 20 1 5 3 9 1 6 20 38 1 7 20 37 1 8 21 5 1 9 34 19 1 10 27 13 1 11 29 14 1 12 25 12 1 13 4 15 2 14 30 18 1 15 14 12 ar 16 14 11 ar 17 7 5 1 18 7 13 1 19 7 1 1 20 12 8 ar 21 15 11 ar 22 15 16 ar 23 11 10 ar 24 18 16 1 25 18 32 1 26 26 13 1 27 16 17 ar 28 8 5 1 29 8 6 ar 30 5 22 1 31 10 6 ar 32 10 2 ar 33 13 28 1 34 6 9 1 35 17 2 ar 36 17 19 1 37 19 35 1 38 19 33 1 39 9 1 1 40 9 24 1