@MOLECULE 1h-isoindole-1,3(2h)-dione, 2-((4-azidophenyl)thio)- 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.1101 -2.0642 1.0020 S.3 1 UNL1 0.3647 2 O 1.9904 -1.9677 -1.4886 O.2 1 UNL1 -0.4014 3 O 1.2234 0.5743 2.2537 O.2 1 UNL1 -0.4144 4 N 1.3899 -0.9659 0.5220 N.am 1 UNL1 -0.6789 5 N -4.7972 0.6305 -1.0068 N.2 1 UNL1 -0.4241 6 N -5.4251 1.5620 -0.4579 N.2 1 UNL1 0.4342 7 N -6.1471 2.3817 -0.1533 N.2 1 UNL1 -0.1677 8 C 3.1065 0.0481 -0.6824 C.ar 1 UNL1 -0.1275 9 C 2.8744 0.8282 0.4725 C.ar 1 UNL1 -0.1280 10 C 2.1460 -1.0976 -0.6828 C.2 1 UNL1 0.5873 11 C 1.7567 0.2075 1.2466 C.2 1 UNL1 0.5906 12 C 4.0805 0.3865 -1.5913 C.ar 1 UNL1 -0.0834 13 C 3.6136 1.9573 0.7334 C.ar 1 UNL1 -0.0822 14 C 4.8398 1.5432 -1.3300 C.ar 1 UNL1 -0.1285 15 C 4.6119 2.3099 -0.1951 C.ar 1 UNL1 -0.1301 16 C -1.3305 -1.2186 0.4186 C.ar 1 UNL1 -0.2208 17 C -1.8772 -0.1864 1.1781 C.ar 1 UNL1 -0.0306 18 C -1.9203 -1.6041 -0.7876 C.ar 1 UNL1 -0.0447 19 C -3.0316 0.4615 0.7466 C.ar 1 UNL1 -0.2916 20 C -3.0731 -0.9709 -1.2319 C.ar 1 UNL1 -0.2135 21 C -3.6279 0.0639 -0.4576 C.ar 1 UNL1 0.2252 22 H 4.2612 -0.2141 -2.4829 H 1 UNL1 0.1739 23 H 3.4360 2.5605 1.6238 H 1 UNL1 0.1737 24 H 5.6174 1.8357 -2.0364 H 1 UNL1 0.1583 25 H 5.2111 3.2026 -0.0128 H 1 UNL1 0.1583 26 H -1.4040 0.1325 2.1155 H 1 UNL1 0.1802 27 H -1.4818 -2.4017 -1.3970 H 1 UNL1 0.1728 28 H -3.4511 1.2650 1.3443 H 1 UNL1 0.1647 29 H -3.5478 -1.2616 -2.1696 H 1 UNL1 0.1831 @BOND 1 22 12 1 2 29 20 1 3 24 14 1 4 12 14 ar 5 12 8 ar 6 2 10 2 7 27 18 1 8 14 15 ar 9 20 18 ar 10 20 21 ar 11 5 6 2 12 5 21 1 13 18 16 ar 14 10 8 1 15 10 4 am 16 8 9 ar 17 6 7 2 18 21 19 ar 19 15 25 1 20 15 13 ar 21 16 1 1 22 16 17 ar 23 9 13 ar 24 9 11 1 25 4 1 1 26 4 11 am 27 13 23 1 28 19 17 ar 29 19 28 1 30 17 26 1 31 11 3 2