@MOLECULE 5-[(6,6-dimethyl-2,4-heptadiyn-1-yl)(methyl)amino]-3,4-dihydro-2(1h)-quinolinone 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0603 3.7933 0.5965 O.2 1 UNL1111111111 -0.5141 2 N 1.7731 2.6701 -0.0379 N.am 1 UNL1111111111 -0.5671 3 N 2.3781 -2.2429 0.5076 N.pl3 1 UNL1111111111 -0.4180 4 C 1.9942 0.2625 0.3123 C.ar 1 UNL1111111111 -0.1506 5 C 0.8442 0.3619 1.2639 C.3 1 UNL1111111111 -0.2533 6 C -0.1796 1.3982 0.7945 C.3 1 UNL1111111111 -0.3549 7 C 2.6593 -0.9281 -0.0045 C.ar 1 UNL1111111111 0.1931 8 C 2.4462 1.4593 -0.2856 C.ar 1 UNL1111111111 0.2247 9 C 0.4718 2.7120 0.4691 C.2 1 UNL1111111111 0.6017 10 C 3.7531 -0.9113 -0.8902 C.ar 1 UNL1111111111 -0.2255 11 C 3.5483 1.4761 -1.1480 C.ar 1 UNL1111111111 -0.2711 12 C 4.1951 0.2807 -1.4447 C.ar 1 UNL1111111111 -0.0830 13 C 1.3984 -2.9849 -0.3221 C.3 1 UNL1111111111 -0.0626 14 C -4.5826 -0.0528 -0.2666 C.3 1 UNL1111111111 0.1415 15 C 2.1035 -2.3287 1.9509 C.3 1 UNL1111111111 -0.2628 16 C -4.8813 0.5014 -1.6722 C.3 1 UNL1111111111 -0.4522 17 C -5.6984 -1.0228 0.1636 C.3 1 UNL1111111111 -0.4558 18 C -4.4770 1.1079 0.7414 C.3 1 UNL1111111111 -0.4509 19 C -3.3243 -0.7585 -0.2977 C.1 1 UNL1111111111 -0.0224 20 C 0.0668 -2.4422 -0.3330 C.1 1 UNL1111111111 -0.1044 21 C -2.2534 -1.3338 -0.3215 C.1 1 UNL1111111111 -0.1128 22 C -1.0404 -1.9392 -0.3369 C.1 1 UNL1111111111 -0.0427 23 H 0.3258 -0.6120 1.3881 H 1 UNL1111111111 0.1656 24 H 1.2268 0.6322 2.2731 H 1 UNL1111111111 0.1569 25 H -0.9659 1.5513 1.5640 H 1 UNL1111111111 0.1816 26 H -0.7197 1.0250 -0.1065 H 1 UNL1111111111 0.1864 27 H 2.2189 3.5406 -0.3073 H 1 UNL1111111111 0.3256 28 H 4.2598 -1.8483 -1.1193 H 1 UNL1111111111 0.1705 29 H 3.8907 2.4068 -1.5911 H 1 UNL1111111111 0.1642 30 H 5.0523 0.2826 -2.1179 H 1 UNL1111111111 0.1524 31 H 1.8118 -3.0228 -1.3677 H 1 UNL1111111111 0.1722 32 H 1.3966 -4.0476 0.0405 H 1 UNL1111111111 0.1678 33 H 2.6737 -1.5589 2.4968 H 1 UNL1111111111 0.1512 34 H 2.4688 -3.3148 2.2959 H 1 UNL1111111111 0.1502 35 H 1.0412 -2.2449 2.2267 H 1 UNL1111111111 0.1314 36 H -4.9459 -0.3028 -2.4134 H 1 UNL1111111111 0.1504 37 H -4.0957 1.1919 -2.0039 H 1 UNL1111111111 0.1567 38 H -5.8321 1.0440 -1.6880 H 1 UNL1111111111 0.1492 39 H -6.6688 -0.5174 0.1972 H 1 UNL1111111111 0.1502 40 H -5.5046 -1.4386 1.1588 H 1 UNL1111111111 0.1509 41 H -5.7857 -1.8642 -0.5329 H 1 UNL1111111111 0.1516 42 H -5.4158 1.6683 0.7952 H 1 UNL1111111111 0.1496 43 H -3.6871 1.8143 0.4573 H 1 UNL1111111111 0.1587 44 H -4.2497 0.7429 1.7490 H 1 UNL1111111111 0.1497 @BOND 1 1 9 2 2 2 8 1 3 2 9 am 4 2 27 1 5 3 7 1 6 3 13 1 7 3 15 1 8 4 5 1 9 4 7 ar 10 4 8 ar 11 5 6 1 12 5 23 1 13 5 24 1 14 6 9 1 15 6 25 1 16 6 26 1 17 7 10 ar 18 8 11 ar 19 10 12 ar 20 10 28 1 21 11 12 ar 22 11 29 1 23 12 30 1 24 13 20 1 25 13 31 1 26 13 32 1 27 14 16 1 28 14 17 1 29 14 18 1 30 14 19 1 31 15 33 1 32 15 34 1 33 15 35 1 34 16 36 1 35 16 37 1 36 16 38 1 37 17 39 1 38 17 40 1 39 17 41 1 40 18 42 1 41 18 43 1 42 18 44 1 43 19 21 3 44 20 22 3 45 21 22 1