@MOLECULE tcmdc-124300 23 25 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0000 -1.4325 0.8392 S.O 1 UNL1111111111 1.1476 2 S 0.0000 1.8203 0.8247 S.3 1 UNL1111111111 0.0578 3 O 0.0000 -2.7526 0.1647 O.2 1 UNL1111111111 -0.7821 4 C -1.3555 -0.4935 0.1253 C.ar 1 UNL1111111111 -0.2830 5 C 1.3556 -0.4936 0.1252 C.ar 1 UNL1111111111 -0.2829 6 C -1.3753 0.8949 0.1843 C.ar 1 UNL1111111111 -0.0678 7 C 1.3753 0.8951 0.1842 C.ar 1 UNL1111111111 -0.0678 8 C -2.4286 -1.1864 -0.4261 C.ar 1 UNL1111111111 -0.0884 9 C 2.4287 -1.1864 -0.4259 C.ar 1 UNL1111111111 -0.0885 10 C -2.4867 1.6045 -0.2683 C.ar 1 UNL1111111111 -0.1478 11 C 2.4866 1.6045 -0.2685 C.ar 1 UNL1111111111 -0.1479 12 C -3.5426 -0.4830 -0.8831 C.ar 1 UNL1111111111 -0.1567 13 C 3.5426 -0.4830 -0.8829 C.ar 1 UNL1111111111 -0.1567 14 C -3.5744 0.9081 -0.7934 C.ar 1 UNL1111111111 -0.1240 15 C 3.5744 0.9081 -0.7936 C.ar 1 UNL1111111111 -0.1240 16 H -2.4031 -2.2793 -0.5146 H 1 UNL1111111111 0.1814 17 H 2.4034 -2.2794 -0.5140 H 1 UNL1111111111 0.1814 18 H -2.5167 2.6940 -0.2294 H 1 UNL1111111111 0.1640 19 H 2.5167 2.6940 -0.2297 H 1 UNL1111111111 0.1640 20 H -4.3858 -1.0209 -1.3130 H 1 UNL1111111111 0.1576 21 H 4.3858 -1.0213 -1.3129 H 1 UNL1111111111 0.1577 22 H -4.4476 1.4555 -1.1464 H 1 UNL1111111111 0.1530 23 H 4.4476 1.4556 -1.1464 H 1 UNL1111111111 0.1530 @BOND 1 1 3 2 2 1 4 1 3 1 5 1 4 2 6 1 5 2 7 1 6 4 6 ar 7 4 8 ar 8 5 7 ar 9 5 9 ar 10 6 10 ar 11 7 11 ar 12 8 12 ar 13 8 16 1 14 9 13 ar 15 9 17 1 16 10 14 ar 17 10 18 1 18 11 15 ar 19 11 19 1 20 12 14 ar 21 12 20 1 22 13 15 ar 23 13 21 1 24 14 22 1 25 15 23 1