@MOLECULE 6-amino-4,4,5,7,8-pentamethyl-3,4,4a,5-tetrahydro-2h-chromen-2-one 38 39 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.5449 -1.3785 0.6343 O.3 1 UNL11111111 -0.3601 2 O 3.7057 -1.1118 0.3885 O.2 1 UNL11111111 -0.4547 3 N -3.1800 1.2941 -0.3916 N.pl3 1 UNL11111111 -0.6196 4 C 0.3653 0.7027 0.6037 C.3 1 UNL11111111 -0.1778 5 C 1.1666 1.3075 -0.5866 C.3 1 UNL11111111 0.1291 6 C -1.0504 1.2753 0.8044 C.3 1 UNL11111111 -0.1052 7 C 0.3250 -0.7721 0.4011 C.2 1 UNL11111111 0.0874 8 C 2.3250 0.3382 -0.9543 C.3 1 UNL11111111 -0.4146 9 C 0.2788 1.4944 -1.8217 C.3 1 UNL11111111 -0.4731 10 C 1.7486 2.6632 -0.1632 C.3 1 UNL11111111 -0.4697 11 C -2.1044 0.5031 0.0367 C.2 1 UNL11111111 0.1677 12 C -0.7361 -1.5092 0.0238 C.2 1 UNL11111111 0.0020 13 C -1.9928 -0.8242 -0.2439 C.2 1 UNL11111111 -0.1615 14 C -1.4268 1.2170 2.2940 C.3 1 UNL11111111 -0.4511 15 C 2.6159 -0.7242 0.0633 C.2 1 UNL11111111 0.5961 16 C -0.6250 -2.9835 -0.1493 C.3 1 UNL11111111 -0.4311 17 C -3.0955 -1.5986 -0.8829 C.3 1 UNL11111111 -0.4124 18 H 0.9512 0.9131 1.5419 H 1 UNL11111111 0.1711 19 H -1.0469 2.3449 0.4730 H 1 UNL11111111 0.1541 20 H 3.2534 0.9115 -1.1597 H 1 UNL11111111 0.1830 21 H 2.0922 -0.1808 -1.9122 H 1 UNL11111111 0.1849 22 H 2.4613 2.5599 0.6631 H 1 UNL11111111 0.1517 23 H 0.8585 1.8001 -2.6977 H 1 UNL11111111 0.1459 24 H -0.2556 0.5671 -2.0717 H 1 UNL11111111 0.1640 25 H -0.4916 2.2580 -1.6618 H 1 UNL11111111 0.1563 26 H 2.2741 3.1496 -0.9925 H 1 UNL11111111 0.1498 27 H 0.9617 3.3509 0.1654 H 1 UNL11111111 0.1476 28 H -1.3833 0.1840 2.6677 H 1 UNL11111111 0.1654 29 H -2.4410 1.5857 2.4721 H 1 UNL11111111 0.1409 30 H -0.7434 1.8179 2.9041 H 1 UNL11111111 0.1513 31 H -0.8985 -3.2923 -1.1678 H 1 UNL11111111 0.1546 32 H -1.2820 -3.5154 0.5551 H 1 UNL11111111 0.1574 33 H 0.3986 -3.3483 0.0363 H 1 UNL11111111 0.1700 34 H -3.1367 -2.6327 -0.5094 H 1 UNL11111111 0.1569 35 H -2.9574 -1.6502 -1.9736 H 1 UNL11111111 0.1524 36 H -4.0881 -1.1726 -0.6936 H 1 UNL11111111 0.1319 37 H -3.9874 0.8182 -0.7480 H 1 UNL11111111 0.2812 38 H -3.4095 2.0929 0.1669 H 1 UNL11111111 0.2785 @BOND 1 23 9 1 2 24 9 1 3 35 17 1 4 21 8 1 5 9 25 1 6 9 5 1 7 31 16 1 8 20 8 1 9 26 10 1 10 8 5 1 11 8 15 1 12 17 36 1 13 17 34 1 14 17 13 1 15 37 3 1 16 5 10 1 17 5 4 1 18 3 11 1 19 3 38 1 20 13 12 1 21 13 11 2 22 10 27 1 23 10 22 1 24 16 12 1 25 16 33 1 26 16 32 1 27 12 7 2 28 11 6 1 29 15 2 2 30 15 1 1 31 7 4 1 32 7 1 1 33 19 6 1 34 4 6 1 35 4 18 1 36 6 14 1 37 14 29 1 38 14 28 1 39 14 30 1