@MOLECULE avatrombopag 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 CL -6.1156 -1.6212 -1.6442 Cl 1 UNL11 -0.0542 2 CL 6.5608 -4.2569 -0.3206 Cl 1 UNL11 -0.0686 3 S 1.2968 1.1172 -0.2782 S.2 1 UNL11 0.1775 4 S 2.5759 -3.8829 0.9342 S.2 1 UNL11 0.3230 5 O -11.9041 0.0849 1.5249 O.3 1 UNL11 -0.5665 6 O -11.1368 1.3683 -0.1231 O.2 1 UNL11 -0.5134 7 O -1.3013 1.9433 -0.1045 O.2 1 UNL11 -0.4768 8 N 6.5556 1.8156 0.0429 N.3 1 UNL11 -0.4585 9 N 4.0401 0.4777 -0.2452 N.pl3 1 UNL11 -0.3776 10 N -7.4572 1.0966 -0.4798 N.pl3 1 UNL11 -0.3493 11 N 0.9227 -1.4515 0.0786 N.ar 1 UNL11 -0.4312 12 N -1.1295 -0.3160 -0.1404 N.am 1 UNL11 -0.5368 13 N -5.4329 1.7366 0.4155 N.ar 1 UNL11 -0.4920 14 C 7.9915 2.1393 -0.2033 C.3 1 UNL11 0.0589 15 C 8.0869 3.6862 -0.1855 C.3 1 UNL11 -0.2829 16 C 8.9433 1.5650 0.8670 C.3 1 UNL11 -0.2968 17 C 9.5233 4.1394 -0.4593 C.3 1 UNL11 -0.2683 18 C 10.3821 2.0198 0.5885 C.3 1 UNL11 -0.2635 19 C 10.4795 3.5498 0.5847 C.3 1 UNL11 -0.2647 20 C 6.3116 0.5208 0.7186 C.3 1 UNL11 -0.1123 21 C 5.8032 1.8377 -1.2387 C.3 1 UNL11 -0.1165 22 C 4.7991 0.4005 1.0290 C.3 1 UNL11 -0.1029 23 C 4.2874 1.7650 -0.9291 C.3 1 UNL11 -0.0975 24 C 2.7237 0.0515 -0.1494 C.ar 1 UNL11 -0.0117 25 C -9.5950 -0.0640 1.1422 C.3 1 UNL11 -0.1708 26 C -8.9859 -0.8012 -0.0627 C.3 1 UNL11 -0.2978 27 C -8.6606 1.0340 1.6770 C.3 1 UNL11 -0.3035 28 C -8.4403 0.1970 -1.0978 C.3 1 UNL11 -0.0995 29 C -8.1188 1.9319 0.5490 C.3 1 UNL11 -0.0826 30 C 2.3084 -1.2586 0.0296 C.ar 1 UNL11 0.0490 31 C -10.9052 0.5619 0.7386 C.2 1 UNL11 0.6352 32 C -6.1278 0.7986 -0.3268 C.ar 1 UNL11 0.4114 33 C 0.2578 -0.3239 -0.0879 C.ar 1 UNL11 0.2390 34 C 3.1448 -2.4165 0.1582 C.ar 1 UNL11 -0.0990 35 C -5.3910 -0.2618 -0.9234 C.ar 1 UNL11 -0.2363 36 C 4.4410 -2.5660 -0.2663 C.ar 1 UNL11 -0.2035 37 C -3.3316 0.7349 -0.2015 C.ar 1 UNL11 -0.3391 38 C -4.0061 -0.2705 -0.8903 C.ar 1 UNL11 0.0148 39 C -1.8708 0.8748 -0.1475 C.2 1 UNL11 0.6121 40 C -4.1058 1.7165 0.4546 C.ar 1 UNL11 0.1959 41 C 4.9625 -3.8483 0.0678 C.ar 1 UNL11 -0.0062 42 C 4.0990 -4.6812 0.7142 C.ar 1 UNL11 -0.3296 43 H 8.3237 1.7582 -1.2032 H 1 UNL11 0.1151 44 H 7.3976 4.1242 -0.9283 H 1 UNL11 0.1341 45 H 7.7389 4.0596 0.7964 H 1 UNL11 0.1536 46 H 8.9045 0.4605 0.8728 H 1 UNL11 0.1381 47 H 8.6278 1.9041 1.8717 H 1 UNL11 0.1500 48 H 9.8338 3.8314 -1.4750 H 1 UNL11 0.1342 49 H 9.5793 5.2436 -0.4452 H 1 UNL11 0.1320 50 H 11.0627 1.5982 1.3510 H 1 UNL11 0.1329 51 H 10.7265 1.6172 -0.3824 H 1 UNL11 0.1360 52 H 10.2337 3.9467 1.5875 H 1 UNL11 0.1379 53 H 11.5172 3.8663 0.3758 H 1 UNL11 0.1298 54 H 6.8581 0.5022 1.6858 H 1 UNL11 0.1435 55 H 6.6487 -0.3522 0.1198 H 1 UNL11 0.1302 56 H 6.0877 1.0034 -1.9168 H 1 UNL11 0.1318 57 H 6.0168 2.7882 -1.7705 H 1 UNL11 0.1360 58 H 4.5961 -0.5736 1.5238 H 1 UNL11 0.1497 59 H 4.4952 1.2084 1.7311 H 1 UNL11 0.1422 60 H 3.9943 2.6415 -0.3091 H 1 UNL11 0.1425 61 H 3.7188 1.7984 -1.8831 H 1 UNL11 0.1472 62 H -9.7819 -0.8089 1.9630 H 1 UNL11 0.1797 63 H -9.7328 -1.4667 -0.5370 H 1 UNL11 0.1608 64 H -8.1765 -1.4707 0.2913 H 1 UNL11 0.1634 65 H -7.8104 0.5633 2.2122 H 1 UNL11 0.1631 66 H -9.1782 1.6552 2.4330 H 1 UNL11 0.1590 67 H -8.0427 -0.2967 -2.0041 H 1 UNL11 0.1642 68 H -9.2772 0.8410 -1.4846 H 1 UNL11 0.1824 69 H -8.9445 2.4960 0.0526 H 1 UNL11 0.1694 70 H -7.4166 2.6977 0.9555 H 1 UNL11 0.1859 71 H -1.5896 -1.2246 -0.0862 H 1 UNL11 0.3353 72 H 5.0035 -1.8103 -0.8025 H 1 UNL11 0.1965 73 H -3.4493 -1.0631 -1.4042 H 1 UNL11 0.1778 74 H -12.7957 0.4587 1.3188 H 1 UNL11 0.3575 75 H -3.6274 2.5220 1.0398 H 1 UNL11 0.1965 76 H 4.2803 -5.6843 1.0541 H 1 UNL11 0.1850 @BOND 1 1 35 1 2 2 41 1 3 3 24 ar 4 3 33 ar 5 4 34 ar 6 4 42 ar 7 5 31 1 8 5 74 1 9 6 31 2 10 7 39 2 11 8 14 1 12 8 20 1 13 8 21 1 14 9 22 1 15 9 23 1 16 9 24 1 17 10 28 1 18 10 29 1 19 10 32 1 20 11 30 ar 21 11 33 ar 22 12 33 1 23 12 39 am 24 12 71 1 25 13 32 ar 26 13 40 ar 27 14 15 1 28 14 16 1 29 14 43 1 30 15 17 1 31 15 44 1 32 15 45 1 33 16 18 1 34 16 46 1 35 16 47 1 36 17 19 1 37 17 48 1 38 17 49 1 39 18 19 1 40 18 50 1 41 18 51 1 42 19 52 1 43 19 53 1 44 20 22 1 45 20 54 1 46 20 55 1 47 21 23 1 48 21 56 1 49 21 57 1 50 22 58 1 51 22 59 1 52 23 60 1 53 23 61 1 54 24 30 ar 55 25 26 1 56 25 27 1 57 25 31 1 58 25 62 1 59 26 28 1 60 26 63 1 61 26 64 1 62 27 29 1 63 27 65 1 64 27 66 1 65 28 67 1 66 28 68 1 67 29 69 1 68 29 70 1 69 30 34 1 70 32 35 ar 71 34 36 ar 72 35 38 ar 73 36 41 ar 74 36 72 1 75 37 38 ar 76 37 39 1 77 37 40 ar 78 38 73 1 79 40 75 1 80 41 42 ar 81 42 76 1