@MOLECULE 2-(4-chlorophenyl)-5,6-dihydro[1]benzothiepino[5,4-c]pyridazin-3(2h)-one 7-oxide 37 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -6.5050 -1.1787 0.6282 Cl 1 UNL1 -0.0810 2 S 3.4620 0.3443 1.4882 S.O 1 UNL1 1.1238 3 O 4.7830 0.0681 2.1063 O.2 1 UNL1 -0.7958 4 O -1.6943 2.9785 -0.4377 O.2 1 UNL1 -0.4763 5 N -1.0481 0.8008 -0.3782 N.ar 1 UNL1 -0.2643 6 N -0.1045 -0.1479 -0.4060 N.ar 1 UNL1 -0.1158 7 C 3.0384 1.8723 -0.8811 C.3 1 UNL1 -0.2775 8 C 1.5856 1.5717 -0.7129 C.ar 1 UNL1 0.0808 9 C 3.7584 1.8555 0.4595 C.3 1 UNL1 -0.4883 10 C 1.1597 0.1953 -0.5689 C.ar 1 UNL1 -0.0186 11 C 2.1402 -0.9026 -0.6221 C.ar 1 UNL1 0.0216 12 C 3.2658 -0.8984 0.2027 C.ar 1 UNL1 -0.2811 13 C 0.6337 2.5354 -0.6771 C.ar 1 UNL1 -0.3080 14 C 1.9466 -1.9459 -1.5307 C.ar 1 UNL1 -0.1423 15 C -0.7688 2.2035 -0.4958 C.ar 1 UNL1 0.5406 16 C 4.2060 -1.9169 0.1053 C.ar 1 UNL1 -0.1015 17 C -2.3772 0.3075 -0.1393 C.ar 1 UNL1 0.1566 18 C 2.8882 -2.9687 -1.6240 C.ar 1 UNL1 -0.1277 19 C 4.0199 -2.9516 -0.8119 C.ar 1 UNL1 -0.1532 20 C -3.4539 0.8911 -0.8195 C.ar 1 UNL1 -0.1374 21 C -2.5734 -0.7417 0.7701 C.ar 1 UNL1 -0.1458 22 C -4.7439 0.4283 -0.5743 C.ar 1 UNL1 -0.1533 23 C -3.8628 -1.2074 1.0070 C.ar 1 UNL1 -0.1589 24 C -4.9197 -0.6097 0.3318 C.ar 1 UNL1 0.0209 25 H 3.5056 1.1512 -1.5920 H 1 UNL1 0.1707 26 H 3.1845 2.8648 -1.3659 H 1 UNL1 0.1672 27 H 4.8500 1.9728 0.3129 H 1 UNL1 0.1814 28 H 3.4508 2.7179 1.0802 H 1 UNL1 0.1737 29 H 0.8543 3.5986 -0.7736 H 1 UNL1 0.1960 30 H 1.0570 -1.9591 -2.1609 H 1 UNL1 0.1666 31 H 5.0982 -1.9166 0.7455 H 1 UNL1 0.1847 32 H 2.7366 -3.7814 -2.3334 H 1 UNL1 0.1552 33 H 4.7598 -3.7470 -0.8883 H 1 UNL1 0.1566 34 H -3.2928 1.7081 -1.5274 H 1 UNL1 0.1897 35 H -1.7205 -1.1938 1.2811 H 1 UNL1 0.1847 36 H -5.5930 0.8802 -1.0899 H 1 UNL1 0.1793 37 H -4.0297 -2.0237 1.7108 H 1 UNL1 0.1765 @BOND 1 32 18 1 2 30 14 1 3 18 14 ar 4 18 19 ar 5 25 7 1 6 14 11 ar 7 34 20 1 8 26 7 1 9 36 22 1 10 33 19 1 11 7 8 1 12 7 9 1 13 20 22 ar 14 20 17 ar 15 19 16 ar 16 29 13 1 17 8 13 ar 18 8 10 ar 19 13 15 ar 20 11 10 1 21 11 12 ar 22 22 24 ar 23 10 6 ar 24 15 4 2 25 15 5 ar 26 6 5 ar 27 5 17 1 28 17 21 ar 29 16 12 ar 30 16 31 1 31 12 2 1 32 27 9 1 33 24 1 1 34 24 23 ar 35 9 28 1 36 9 2 1 37 21 23 ar 38 21 35 1 39 23 37 1 40 2 3 2