@MOLECULE 6-isocyano-n,2,2-trimethyl-2h-chromene-4-carbothioamide 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.0748 -2.9407 -1.2907 S.2 1 UNL1 -0.4317 2 O -1.0583 2.2125 0.3291 O.3 1 UNL1 -0.3508 3 N -0.4340 -2.6373 1.2323 N.am 1 UNL1 -0.4175 4 N 3.9585 0.0637 -0.2931 N.1 1 UNL1 -0.5343 5 C -2.2363 1.5105 -0.1287 C.3 1 UNL1 0.3100 6 C -2.1146 0.0220 -0.0132 C.2 1 UNL1 -0.1917 7 C -0.9126 -0.5731 0.0259 C.2 1 UNL1 -0.0392 8 C 0.2982 0.2352 -0.0049 C.ar 1 UNL1 -0.1355 9 C 0.1431 1.6226 0.1541 C.ar 1 UNL1 0.2541 10 C -2.4442 1.9052 -1.5904 C.3 1 UNL1 -0.4901 11 C -3.3162 2.0667 0.7989 C.3 1 UNL1 -0.4779 12 C 1.5819 -0.2833 -0.1697 C.ar 1 UNL1 -0.1398 13 C 1.2452 2.4877 0.2089 C.ar 1 UNL1 -0.2252 14 C -0.7864 -2.0433 0.0754 C.2 1 UNL1 0.2879 15 C 2.6845 0.5775 -0.1322 C.ar 1 UNL1 0.1587 16 C 2.5177 1.9611 0.0682 C.ar 1 UNL1 -0.1287 17 C -0.2052 -1.8970 2.4738 C.3 1 UNL1 -0.2591 18 C 5.0447 -0.3780 -0.4455 C.1 1 UNL1 0.3093 19 H -3.0530 -0.5284 -0.0011 H 1 UNL1 0.1752 20 H -2.4181 2.9950 -1.7117 H 1 UNL1 0.1634 21 H -3.4028 1.5417 -1.9756 H 1 UNL1 0.1618 22 H -1.6526 1.4875 -2.2298 H 1 UNL1 0.1735 23 H -3.1514 1.7520 1.8368 H 1 UNL1 0.1602 24 H -4.3147 1.7367 0.4938 H 1 UNL1 0.1608 25 H -3.3095 3.1654 0.7941 H 1 UNL1 0.1668 26 H 1.7317 -1.3515 -0.3369 H 1 UNL1 0.1810 27 H 1.0842 3.5548 0.3526 H 1 UNL1 0.1814 28 H 3.3922 2.6110 0.1026 H 1 UNL1 0.1693 29 H -0.3509 -3.6493 1.2871 H 1 UNL1 0.3274 30 H 0.3997 -2.4999 3.1727 H 1 UNL1 0.1562 31 H -1.1622 -1.6446 2.9661 H 1 UNL1 0.1549 32 H 0.3399 -0.9504 2.2923 H 1 UNL1 0.1697 @BOND 1 22 10 1 2 21 10 1 3 20 10 1 4 10 5 1 5 1 14 2 6 18 4 3 7 26 12 1 8 4 15 1 9 12 15 ar 10 12 8 ar 11 15 16 ar 12 5 6 1 13 5 2 1 14 5 11 1 15 6 19 1 16 6 7 2 17 8 7 1 18 8 9 ar 19 7 14 1 20 16 28 1 21 16 13 ar 22 14 3 1 23 9 13 ar 24 9 2 1 25 13 27 1 26 24 11 1 27 25 11 1 28 11 23 1 29 3 29 1 30 3 17 1 31 32 17 1 32 17 31 1 33 17 30 1