@MOLECULE 2,6-ditert-butyl-4-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.2490 1.5681 0.1135 S.O2 1 UNL111111111 2.3692 2 O 4.2046 -0.1764 -1.1263 O.2 1 UNL111111111 -0.4813 3 O -3.7193 2.4744 -0.8988 O.2 1 UNL111111111 -0.8615 4 O -3.2422 1.9633 1.4916 O.2 1 UNL111111111 -0.8534 5 N -1.5821 1.2137 -0.3311 N.pl3 1 UNL111111111 -0.8344 6 N -1.7326 -1.0634 0.3135 N.pl3 1 UNL111111111 -0.5216 7 C 3.4802 2.3740 0.0461 C.3 1 UNL111111111 0.1437 8 C 3.3105 -2.6122 0.1529 C.3 1 UNL111111111 0.1464 9 C 2.5852 1.1634 -0.0452 C.2 1 UNL111111111 -0.1722 10 C 2.4987 -1.3481 0.0154 C.2 1 UNL111111111 -0.1633 11 C 3.2060 -0.1239 -0.4412 C.2 1 UNL111111111 0.4799 12 C 0.4541 -0.0209 0.1525 C.2 1 UNL111111111 -0.2959 13 C 1.2574 1.1840 0.1813 C.2 1 UNL111111111 -0.0880 14 C 1.1728 -1.2719 0.2470 C.2 1 UNL111111111 -0.0940 15 C 4.7379 2.0208 0.8621 C.3 1 UNL111111111 -0.4636 16 C 3.8762 2.7998 -1.3782 C.3 1 UNL111111111 -0.4609 17 C 2.7794 3.5579 0.7419 C.3 1 UNL111111111 -0.4683 18 C 4.5924 -2.3119 0.9512 C.3 1 UNL111111111 -0.4657 19 C 3.6700 -3.1215 -1.2537 C.3 1 UNL111111111 -0.4623 20 C 2.5360 -3.7190 0.8976 C.3 1 UNL111111111 -0.4670 21 C -0.9231 0.0588 0.0583 C.2 1 UNL111111111 0.4745 22 C -3.1067 -1.1507 0.0754 C.ar 1 UNL111111111 0.3060 23 C -3.9220 -0.0186 -0.0702 C.ar 1 UNL111111111 -0.5095 24 C -5.2858 -0.1789 -0.3305 C.ar 1 UNL111111111 0.0011 25 C -3.6771 -2.4419 0.0133 C.ar 1 UNL111111111 -0.2851 26 C -5.8421 -1.4479 -0.4081 C.ar 1 UNL111111111 -0.2368 27 C -5.0344 -2.5767 -0.2239 C.ar 1 UNL111111111 -0.0257 28 H 0.7463 2.1116 0.4463 H 1 UNL111111111 0.1516 29 H 0.6084 -2.1614 0.5223 H 1 UNL111111111 0.1323 30 H 5.3728 2.8989 1.0124 H 1 UNL111111111 0.1438 31 H 5.3478 1.2667 0.3473 H 1 UNL111111111 0.1650 32 H 4.4725 1.6223 1.8458 H 1 UNL111111111 0.1433 33 H 4.5271 3.6780 -1.3641 H 1 UNL111111111 0.1419 34 H 4.4209 1.9926 -1.8903 H 1 UNL111111111 0.1741 35 H 2.9978 3.0352 -1.9850 H 1 UNL111111111 0.1391 36 H 3.4712 4.3983 0.8677 H 1 UNL111111111 0.1488 37 H 2.4208 3.2785 1.7381 H 1 UNL111111111 0.1465 38 H 1.9306 3.9272 0.1598 H 1 UNL111111111 0.1383 39 H 5.1667 -3.2237 1.1386 H 1 UNL111111111 0.1435 40 H 5.2504 -1.6240 0.4033 H 1 UNL111111111 0.1673 41 H 4.3597 -1.8531 1.9169 H 1 UNL111111111 0.1438 42 H 4.2561 -4.0429 -1.2062 H 1 UNL111111111 0.1408 43 H 4.2696 -2.3760 -1.7980 H 1 UNL111111111 0.1759 44 H 2.7745 -3.3153 -1.8503 H 1 UNL111111111 0.1398 45 H 3.1730 -4.5968 1.0537 H 1 UNL111111111 0.1469 46 H 1.6636 -4.0552 0.3312 H 1 UNL111111111 0.1357 47 H 2.2051 -3.3775 1.8834 H 1 UNL111111111 0.1442 48 H -1.0032 1.9580 -0.7257 H 1 UNL111111111 0.3479 49 H -1.2468 -1.9232 0.5721 H 1 UNL111111111 0.3332 50 H -5.9315 0.6953 -0.4801 H 1 UNL111111111 0.1670 51 H -3.0545 -3.3239 0.1417 H 1 UNL111111111 0.1661 52 H -6.9036 -1.5701 -0.6093 H 1 UNL111111111 0.1621 53 H -5.4812 -3.5717 -0.2748 H 1 UNL111111111 0.1509 @BOND 1 1 3 2 2 1 4 2 3 1 5 1 4 1 23 1 5 2 11 2 6 5 21 1 7 5 48 1 8 6 21 1 9 6 22 1 10 6 49 1 11 7 9 1 12 7 15 1 13 7 16 1 14 7 17 1 15 8 10 1 16 8 18 1 17 8 19 1 18 8 20 1 19 9 11 1 20 9 13 2 21 10 11 1 22 10 14 2 23 12 13 1 24 12 14 1 25 12 21 2 26 13 28 1 27 14 29 1 28 15 30 1 29 15 31 1 30 15 32 1 31 16 33 1 32 16 34 1 33 16 35 1 34 17 36 1 35 17 37 1 36 17 38 1 37 18 39 1 38 18 40 1 39 18 41 1 40 19 42 1 41 19 43 1 42 19 44 1 43 20 45 1 44 20 46 1 45 20 47 1 46 22 23 ar 47 22 25 ar 48 23 24 ar 49 24 26 ar 50 24 50 1 51 25 27 ar 52 25 51 1 53 26 27 ar 54 26 52 1 55 27 53 1