@MOLECULE n-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(2-thienyl)-2,3-dihydro-4-pyridazinyl]-1,1-dioxido-2h-1,2,4-benzothiadiazin-7-yl}methanesulfonamide 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.4283 3.9125 1.2823 C.ar 1 UNL1 -0.1768 2 C -4.0829 -1.2170 -0.2633 C.ar 1 UNL1 -0.0629 3 C 4.7610 5.1235 -0.2068 C.ar 1 UNL1 -0.2789 4 C -2.0280 0.0639 -0.4285 C.ar 1 UNL1 0.2935 5 C -4.7812 -0.1715 -0.8590 C.ar 1 UNL1 0.0906 6 C 3.7615 2.9123 0.4045 C.ar 1 UNL1 -0.1635 7 C 1.9390 1.1839 0.4094 C.ar 1 UNL1 0.3868 8 C 2.5939 -1.1533 0.5730 C.ar 1 UNL1 0.5687 9 C 6.9625 -3.3395 -2.3339 C.3 1 UNL1 -0.4550 10 C 5.0741 -1.6361 0.5753 C.3 1 UNL1 -0.0547 11 C 6.5371 -3.0973 -0.8802 C.3 1 UNL1 -0.0555 12 O -8.5234 0.6116 -0.9604 O.2 1 UNL1 -0.9026 13 S -7.2650 0.8177 -0.2845 S.O2 1 UNL1 2.3625 14 O -6.6140 2.1051 -0.3108 O.2 1 UNL1 -0.9210 15 C -7.3786 0.2679 1.3917 C.3 1 UNL1 -0.7432 16 N -6.1897 -0.3434 -1.0235 N.pl3 1 UNL1 -0.8591 17 C -4.1049 1.0021 -1.2578 C.ar 1 UNL1 -0.1083 18 C -2.7073 -1.1023 -0.0400 C.ar 1 UNL1 -0.5223 19 S -1.8710 -2.4031 0.7339 S.O2 1 UNL1 2.3616 20 O -2.2795 -2.5235 2.1090 O.2 1 UNL1 -0.8734 21 O -1.8423 -3.5785 -0.0947 O.2 1 UNL1 -0.8648 22 N -0.2103 -1.8063 0.7757 N.pl3 1 UNL1 -0.8355 23 C 0.1580 -0.5619 0.3085 C.2 1 UNL1 0.5284 24 N -0.6736 0.2924 -0.2532 N.2 1 UNL1 -0.5643 25 C -2.7488 1.1172 -1.0478 C.ar 1 UNL1 -0.1938 26 C 1.5645 -0.1487 0.4405 C.ar 1 UNL1 -0.3741 27 O 0.9961 2.1159 0.3604 O.3 1 UNL1 -0.3200 28 O 2.4543 -2.3524 0.7010 O.2 1 UNL1 -0.5017 29 N 3.9476 -0.6697 0.5785 N.ar 1 UNL1 -0.2607 30 C 5.3529 -2.1135 -0.8567 C.3 1 UNL1 -0.3148 31 C 6.1611 -4.4263 -0.2171 C.3 1 UNL1 -0.4548 32 N 4.2919 0.5987 0.5040 N.ar 1 UNL1 -0.0543 33 C 3.3469 1.5296 0.4457 C.ar 1 UNL1 -0.1246 34 S 4.8013 3.5202 -0.8541 S.2 1 UNL1 0.3086 35 C 3.9971 5.1761 0.9262 C.ar 1 UNL1 -0.1692 36 H 2.8258 3.7829 2.1706 H 1 UNL1 0.1725 37 H -4.6320 -2.1210 0.0231 H 1 UNL1 0.1737 38 H 5.2881 5.9407 -0.6683 H 1 UNL1 0.1788 39 H 7.2873 -2.4130 -2.8186 H 1 UNL1 0.1414 40 H 7.7966 -4.0479 -2.3902 H 1 UNL1 0.1454 41 H 6.1410 -3.7552 -2.9285 H 1 UNL1 0.1504 42 H 5.9763 -1.1556 1.0181 H 1 UNL1 0.1624 43 H 4.7832 -2.4921 1.2328 H 1 UNL1 0.1748 44 H 7.3974 -2.6471 -0.3281 H 1 UNL1 0.1286 45 H -8.2263 -0.4161 1.5428 H 1 UNL1 0.1952 46 H -6.4753 -0.2671 1.7225 H 1 UNL1 0.1978 47 H -7.5133 1.1110 2.0847 H 1 UNL1 0.1935 48 H -6.4594 -0.6916 -1.9426 H 1 UNL1 0.3182 49 H -4.6634 1.8263 -1.7130 H 1 UNL1 0.1823 50 H 0.5333 -2.4492 1.0763 H 1 UNL1 0.3606 51 H -2.2031 2.0150 -1.3411 H 1 UNL1 0.1780 52 H 1.3722 3.0477 0.2918 H 1 UNL1 0.3291 53 H 4.4507 -2.5962 -1.2827 H 1 UNL1 0.1632 54 H 5.5702 -1.2445 -1.5081 H 1 UNL1 0.1529 55 H 5.9484 -4.3058 0.8501 H 1 UNL1 0.1423 56 H 5.2691 -4.8677 -0.6787 H 1 UNL1 0.1552 57 H 6.9710 -5.1585 -0.3070 H 1 UNL1 0.1446 58 H 3.8271 6.0660 1.5151 H 1 UNL1 0.1682 @BOND 1 41 9 1 2 39 9 1 3 40 9 1 4 9 11 1 5 48 16 1 6 49 17 1 7 54 30 1 8 51 25 1 9 53 30 1 10 17 25 ar 11 17 5 ar 12 25 4 ar 13 16 5 1 14 16 13 1 15 12 13 2 16 11 30 1 17 11 44 1 18 11 31 1 19 5 2 ar 20 30 10 1 21 34 3 ar 22 34 6 ar 23 56 31 1 24 38 3 1 25 4 24 1 26 4 18 ar 27 14 13 2 28 57 31 1 29 13 15 1 30 2 18 ar 31 2 37 1 32 24 23 2 33 31 55 1 34 3 35 ar 35 21 19 2 36 18 19 1 37 52 27 1 38 23 26 1 39 23 22 1 40 27 7 1 41 6 33 1 42 6 1 ar 43 7 26 ar 44 7 33 ar 45 26 8 ar 46 33 32 ar 47 32 29 ar 48 8 29 ar 49 8 28 2 50 10 29 1 51 10 42 1 52 10 43 1 53 19 22 1 54 19 20 2 55 22 50 1 56 35 1 ar 57 35 58 1 58 1 36 1 59 15 45 1 60 15 46 1 61 15 47 1