@MOLECULE salicylihalamide a 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0019 1.3120 1.1695 O.3 1 UNL11 -0.5648 2 O 1.2580 0.4215 -0.7054 O.3 1 UNL11 -0.4951 3 O 2.0604 -1.0499 -2.2000 O.2 1 UNL11 -0.5011 4 O -1.2976 -0.3663 -0.3804 O.3 1 UNL11 -0.5002 5 O -3.0236 2.6223 2.0206 O.2 1 UNL11 -0.4833 6 N -2.5297 2.6542 -0.1950 N.am 1 UNL11 -0.5685 7 C 5.2702 0.9781 0.3830 C.3 1 UNL11 -0.1337 8 C 3.9106 1.7045 0.1739 C.3 1 UNL11 0.1671 9 C 3.3794 1.4713 -1.2537 C.3 1 UNL11 -0.4152 10 C 1.8596 1.5280 -1.4040 C.3 1 UNL11 0.1769 11 C 5.0899 -0.3984 1.0492 C.3 1 UNL11 -0.2884 12 C 6.1714 1.8468 1.2686 C.3 1 UNL11 -0.4530 13 C 1.2025 2.7505 -0.7492 C.3 1 UNL11 -0.2894 14 C 4.3596 -1.3751 0.1879 C.2 1 UNL11 -0.1444 15 C 3.4667 -2.2352 0.6858 C.2 1 UNL11 -0.1845 16 C -0.2672 2.7350 -0.9945 C.2 1 UNL11 -0.3158 17 C 2.7058 -3.2077 -0.1635 C.3 1 UNL11 -0.3135 18 C 1.4077 -0.8361 -1.2123 C.2 1 UNL11 0.6461 19 C 1.2382 -2.9784 0.0451 C.ar 1 UNL11 0.1659 20 C 0.6481 -1.7818 -0.3916 C.ar 1 UNL11 -0.3382 21 C -0.6889 -1.5221 -0.0603 C.ar 1 UNL11 0.3857 22 C 0.4616 -3.9201 0.7144 C.ar 1 UNL11 -0.2817 23 C -1.1450 2.7186 0.0253 C.2 1 UNL11 0.0824 24 C -1.4803 -2.4733 0.5999 C.ar 1 UNL11 -0.2865 25 C -0.8918 -3.6725 0.9703 C.ar 1 UNL11 -0.0197 26 C -3.4232 2.5487 0.8816 C.2 1 UNL11 0.5995 27 C -4.8429 2.3786 0.5028 C.2 1 UNL11 -0.3115 28 C -5.3520 1.2544 -0.0187 C.2 1 UNL11 -0.0498 29 C -4.5706 0.0692 -0.3310 C.2 1 UNL11 -0.2332 30 C -5.0875 -1.1269 -0.6471 C.2 1 UNL11 -0.0802 31 C -6.5427 -1.4557 -0.7180 C.3 1 UNL11 -0.2752 32 C -7.0164 -1.9600 0.6484 C.3 1 UNL11 -0.4272 33 H 5.7677 0.8416 -0.6052 H 1 UNL11 0.1332 34 H 4.0133 2.7970 0.3772 H 1 UNL11 0.1324 35 H 3.7274 0.4843 -1.6310 H 1 UNL11 0.1799 36 H 3.8398 2.2131 -1.9348 H 1 UNL11 0.1573 37 H 1.5751 1.4332 -2.4784 H 1 UNL11 0.1346 38 H 6.0884 -0.8176 1.3014 H 1 UNL11 0.1490 39 H 4.5757 -0.2598 2.0264 H 1 UNL11 0.1685 40 H 5.6974 2.0425 2.2395 H 1 UNL11 0.1576 41 H 6.3834 2.8144 0.8025 H 1 UNL11 0.1396 42 H 7.1333 1.3615 1.4635 H 1 UNL11 0.1418 43 H 1.4348 2.7606 0.3423 H 1 UNL11 0.1874 44 H 1.6605 3.6759 -1.1539 H 1 UNL11 0.1557 45 H 4.6110 -1.3504 -0.8719 H 1 UNL11 0.1506 46 H 2.4791 0.5328 0.8856 H 1 UNL11 0.3384 47 H 3.2210 -2.2701 1.7463 H 1 UNL11 0.1546 48 H -0.5727 2.7374 -2.0345 H 1 UNL11 0.1520 49 H 3.0007 -4.2466 0.0972 H 1 UNL11 0.1636 50 H 2.9615 -3.1027 -1.2442 H 1 UNL11 0.1829 51 H 0.9071 -4.8529 1.0490 H 1 UNL11 0.1607 52 H -0.8464 2.7417 1.0853 H 1 UNL11 0.1903 53 H -2.5189 -2.2465 0.8234 H 1 UNL11 0.1783 54 H -1.4855 -4.4302 1.4838 H 1 UNL11 0.1463 55 H -2.8719 2.5933 -1.1439 H 1 UNL11 0.3127 56 H -0.6384 0.3715 -0.5676 H 1 UNL11 0.3735 57 H -5.4627 3.2419 0.7472 H 1 UNL11 0.1796 58 H -6.4268 1.1901 -0.2255 H 1 UNL11 0.1508 59 H -3.4799 0.1838 -0.2773 H 1 UNL11 0.1835 60 H -4.4255 -1.9718 -0.8571 H 1 UNL11 0.1480 61 H -6.7297 -2.2280 -1.4922 H 1 UNL11 0.1437 62 H -7.1482 -0.5822 -1.0311 H 1 UNL11 0.1432 63 H -6.8716 -1.1981 1.4250 H 1 UNL11 0.1526 64 H -6.4631 -2.8532 0.9608 H 1 UNL11 0.1471 65 H -8.0802 -2.2186 0.6300 H 1 UNL11 0.1412 @BOND 1 1 8 1 2 1 46 1 3 2 10 1 4 2 18 1 5 3 18 2 6 4 21 1 7 4 56 1 8 5 26 2 9 6 23 1 10 6 26 am 11 6 55 1 12 7 8 1 13 7 11 1 14 7 12 1 15 7 33 1 16 8 9 1 17 8 34 1 18 9 10 1 19 9 35 1 20 9 36 1 21 10 13 1 22 10 37 1 23 11 14 1 24 11 38 1 25 11 39 1 26 12 40 1 27 12 41 1 28 12 42 1 29 13 16 1 30 13 43 1 31 13 44 1 32 14 15 2 33 14 45 1 34 15 17 1 35 15 47 1 36 16 23 2 37 16 48 1 38 17 19 1 39 17 49 1 40 17 50 1 41 18 20 1 42 19 20 ar 43 19 22 ar 44 20 21 ar 45 21 24 ar 46 22 25 ar 47 22 51 1 48 23 52 1 49 24 25 ar 50 24 53 1 51 25 54 1 52 26 27 1 53 27 28 2 54 27 57 1 55 28 29 1 56 28 58 1 57 29 30 2 58 29 59 1 59 30 31 1 60 30 60 1 61 31 32 1 62 31 61 1 63 31 62 1 64 32 63 1 65 32 64 1 66 32 65 1