@MOLECULE n-{2-methyl-5-[9-{4-[(methylsulfonyl)amino]phenyl}-2-oxobenzo[h][1,6]naphthyridin-1(2h)-yl]phenyl}acrylamide 62 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 5.8433 0.6340 0.4935 S.O2 1 UNL1 2.3925 2 O -4.0715 -3.1407 0.5502 O.2 1 UNL1 -0.4721 3 O 6.9284 -0.1185 -0.0899 O.2 1 UNL1 -0.9081 4 O 6.0148 1.9948 0.9225 O.2 1 UNL1 -0.8894 5 O 0.9046 -1.4651 1.5219 O.2 1 UNL1 -0.4883 6 N -3.5746 -0.9558 0.2540 N.ar 1 UNL1 -0.4258 7 N -4.7335 3.0826 0.4812 N.ar 1 UNL1 -0.4122 8 N 0.9314 -2.7761 -0.3400 N.am 1 UNL1 -0.5789 9 N 4.6283 0.5699 -0.7604 N.pl3 1 UNL1 -0.8692 10 C -3.8647 0.3820 0.4450 C.ar 1 UNL1 0.3065 11 C -2.9267 1.4485 0.1721 C.ar 1 UNL1 -0.1598 12 C -5.1396 0.7353 0.9184 C.ar 1 UNL1 -0.2872 13 C -3.4304 2.7736 0.1222 C.ar 1 UNL1 0.1934 14 C -2.4836 -1.3626 -0.5937 C.ar 1 UNL1 0.1725 15 C -1.5392 1.2719 0.0143 C.ar 1 UNL1 -0.1142 16 C -0.7185 2.3201 -0.3509 C.ar 1 UNL1 -0.0242 17 C -4.4473 -2.0040 0.7114 C.ar 1 UNL1 0.5929 18 C -6.0478 -0.2735 1.3656 C.ar 1 UNL1 0.0084 19 C -5.5148 2.1190 0.9056 C.ar 1 UNL1 0.1234 20 C -2.5830 3.8448 -0.2632 C.ar 1 UNL1 -0.1711 21 C -1.2507 3.6161 -0.5188 C.ar 1 UNL1 -0.1021 22 C 0.7068 2.0236 -0.5277 C.ar 1 UNL1 -0.0952 23 C -1.3519 -1.9657 -0.0411 C.ar 1 UNL1 -0.1771 24 C -5.7056 -1.5797 1.2985 C.ar 1 UNL1 -0.3341 25 C -2.5902 -1.1359 -1.9688 C.ar 1 UNL1 -0.1890 26 C -0.2734 -2.2603 -0.8818 C.ar 1 UNL1 0.1811 27 C -0.3599 -2.0361 -2.2717 C.ar 1 UNL1 -0.0333 28 C -1.5296 -1.4897 -2.7969 C.ar 1 UNL1 -0.1253 29 C 1.1226 1.2619 -1.6236 C.ar 1 UNL1 -0.0711 30 C 1.6341 2.4054 0.4417 C.ar 1 UNL1 -0.0580 31 C 3.3558 1.1558 -0.7009 C.ar 1 UNL1 0.2719 32 C 2.4384 0.8338 -1.7216 C.ar 1 UNL1 -0.2875 33 C 2.9570 1.9860 0.3588 C.ar 1 UNL1 -0.2856 34 C 0.7815 -2.3560 -3.1748 C.3 1 UNL1 -0.4464 35 C 1.4756 -2.2920 0.8476 C.2 1 UNL1 0.5857 36 C 5.1123 -0.2874 1.8132 C.3 1 UNL1 -0.7581 37 C 2.7952 -2.8809 1.1982 C.2 1 UNL1 -0.2680 38 C 3.0065 -3.3766 2.4157 C.2 1 UNL1 -0.2043 39 H -1.0725 0.3074 0.2282 H 1 UNL1 0.1863 40 H -7.0131 0.0424 1.7692 H 1 UNL1 0.1575 41 H -6.5206 2.4083 1.2419 H 1 UNL1 0.1711 42 H -3.0167 4.8431 -0.3364 H 1 UNL1 0.1772 43 H -0.5913 4.4259 -0.8307 H 1 UNL1 0.1623 44 H -1.3022 -2.1757 1.0307 H 1 UNL1 0.2024 45 H -6.3497 -2.3837 1.6501 H 1 UNL1 0.1886 46 H -3.4887 -0.6847 -2.3863 H 1 UNL1 0.1708 47 H -1.6141 -1.3224 -3.8708 H 1 UNL1 0.1598 48 H 0.4007 0.9869 -2.3938 H 1 UNL1 0.1560 49 H 1.3141 3.0233 1.2818 H 1 UNL1 0.1565 50 H 2.7532 0.2386 -2.5718 H 1 UNL1 0.1512 51 H 3.6646 2.3353 1.1098 H 1 UNL1 0.1825 52 H 1.7123 -1.8756 -2.8368 H 1 UNL1 0.1559 53 H 0.9604 -3.4394 -3.2362 H 1 UNL1 0.1554 54 H 0.6096 -2.0111 -4.2051 H 1 UNL1 0.1622 55 H 1.4495 -3.4299 -0.9110 H 1 UNL1 0.3159 56 H 4.9299 0.2402 -1.6746 H 1 UNL1 0.3248 57 H 5.4241 0.0949 2.7964 H 1 UNL1 0.1964 58 H 4.0094 -0.2469 1.8087 H 1 UNL1 0.2070 59 H 5.3889 -1.3495 1.7792 H 1 UNL1 0.1905 60 H 3.5519 -2.8570 0.4178 H 1 UNL1 0.1677 61 H 3.9463 -3.8068 2.7334 H 1 UNL1 0.1466 62 H 2.2491 -3.3898 3.1928 H 1 UNL1 0.1625 @BOND 1 54 34 1 2 47 28 1 3 53 34 1 4 34 52 1 5 34 27 1 6 28 27 ar 7 28 25 ar 8 50 32 1 9 48 29 1 10 46 25 1 11 27 26 ar 12 25 14 ar 13 32 29 ar 14 32 31 ar 15 56 9 1 16 29 22 ar 17 55 8 1 18 26 8 1 19 26 23 ar 20 43 21 1 21 9 31 1 22 9 1 1 23 31 33 ar 24 14 23 ar 25 14 6 1 26 22 16 1 27 22 30 ar 28 21 16 ar 29 21 20 ar 30 16 15 ar 31 8 35 am 32 42 20 1 33 20 13 ar 34 3 1 2 35 23 44 1 36 15 11 ar 37 15 39 1 38 13 11 ar 39 13 7 ar 40 11 10 ar 41 6 10 ar 42 6 17 ar 43 33 30 ar 44 33 51 1 45 60 37 1 46 30 49 1 47 10 12 ar 48 7 19 ar 49 1 4 2 50 1 36 1 51 2 17 2 52 17 24 ar 53 35 37 1 54 35 5 2 55 19 12 ar 56 19 41 1 57 12 18 ar 58 37 38 2 59 24 18 ar 60 24 45 1 61 18 40 1 62 59 36 1 63 58 36 1 64 36 57 1 65 38 61 1 66 38 62 1