@MOLECULE 1-oxo-n-[5-(3-pyridinyl)-2-pentanyl]-1h-pyrido[2,1-b]quinazoline-8-carboxamide 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.6870 -2.3376 1.5073 O.2 1 UNL1 -0.5207 2 O 6.7069 -1.1499 1.3311 O.2 1 UNL1 -0.4812 3 N -1.6030 -2.0678 -0.5472 N.am 1 UNL1 -0.6054 4 N 2.7821 -0.3500 0.1464 N.ar 1 UNL1 -0.3208 5 N 3.5650 1.6477 -0.9265 N.ar 1 UNL1 -0.4533 6 N -6.9578 2.2296 1.5327 N.ar 1 UNL1 -0.3571 7 C -2.7431 -2.9506 -0.2466 C.3 1 UNL1 0.1222 8 C -4.0276 -2.3464 -0.8543 C.3 1 UNL1 -0.3110 9 C -4.4050 -1.0386 -0.1531 C.3 1 UNL1 -0.2559 10 C -5.6306 -0.3948 -0.8210 C.3 1 UNL1 -0.2822 11 C -2.4841 -4.3491 -0.8258 C.3 1 UNL1 -0.4866 12 C -5.8911 0.9398 -0.2046 C.ar 1 UNL1 -0.0758 13 C -0.6419 -1.8232 0.4066 C.2 1 UNL1 0.5939 14 C 0.4561 -0.8983 0.0179 C.ar 1 UNL1 -0.2468 15 C 1.7148 -1.1827 0.4623 C.ar 1 UNL1 0.1195 16 C 2.5830 0.8460 -0.6222 C.ar 1 UNL1 0.3776 17 C 0.2013 0.2920 -0.7379 C.ar 1 UNL1 -0.0545 18 C 4.0780 -0.6530 0.5783 C.ar 1 UNL1 0.1144 19 C 5.1063 0.1775 0.2654 C.ar 1 UNL1 -0.2717 20 C 1.2209 1.1263 -1.0450 C.ar 1 UNL1 -0.2093 21 C -5.3121 2.1010 -0.7187 C.ar 1 UNL1 -0.1149 22 C 4.8730 1.3895 -0.5095 C.ar 1 UNL1 0.2288 23 C -6.7122 1.0540 0.9297 C.ar 1 UNL1 0.0245 24 C 6.4884 -0.1308 0.7080 C.ar 1 UNL1 0.4944 25 C 5.8893 2.2455 -0.8150 C.ar 1 UNL1 -0.2798 26 C -5.5633 3.3223 -0.0982 C.ar 1 UNL1 -0.2291 27 C 7.5134 0.8417 0.3504 C.ar 1 UNL1 -0.3388 28 C 7.2200 1.9520 -0.3655 C.ar 1 UNL1 -0.0055 29 C -6.3937 3.3434 1.0298 C.ar 1 UNL1 0.0388 30 H -2.8498 -3.0253 0.8725 H 1 UNL1 0.1711 31 H -3.9000 -2.1814 -1.9396 H 1 UNL1 0.1409 32 H -4.8522 -3.0789 -0.7597 H 1 UNL1 0.1511 33 H -3.5527 -0.3319 -0.1699 H 1 UNL1 0.1474 34 H -4.6108 -1.2219 0.9198 H 1 UNL1 0.1499 35 H -5.4659 -0.3000 -1.9135 H 1 UNL1 0.1496 36 H -6.5127 -1.0597 -0.7192 H 1 UNL1 0.1525 37 H -1.5242 -1.7204 -1.4861 H 1 UNL1 0.3102 38 H -2.3650 -4.3314 -1.9131 H 1 UNL1 0.1481 39 H -3.3054 -5.0335 -0.5886 H 1 UNL1 0.1533 40 H -1.5683 -4.7819 -0.4004 H 1 UNL1 0.1648 41 H 1.9336 -2.0669 1.0834 H 1 UNL1 0.1991 42 H -0.8255 0.5158 -1.0360 H 1 UNL1 0.1686 43 H 4.2186 -1.5749 1.1664 H 1 UNL1 0.2052 44 H 1.0839 2.0509 -1.6127 H 1 UNL1 0.1973 45 H -4.6692 2.0524 -1.5958 H 1 UNL1 0.1555 46 H -7.1930 0.1781 1.3798 H 1 UNL1 0.1730 47 H 5.7079 3.1487 -1.3919 H 1 UNL1 0.1805 48 H -5.1260 4.2410 -0.4776 H 1 UNL1 0.1643 49 H 8.5199 0.6136 0.6935 H 1 UNL1 0.1803 50 H 8.0008 2.6717 -0.6269 H 1 UNL1 0.1511 51 H -6.6244 4.2744 1.5597 H 1 UNL1 0.1724 @BOND 1 31 8 1 2 35 10 1 3 38 11 1 4 44 20 1 5 45 21 1 6 37 3 1 7 47 25 1 8 20 17 ar 9 20 16 ar 10 42 17 1 11 5 16 ar 12 5 22 ar 13 8 32 1 14 8 7 1 15 8 9 1 16 11 39 1 17 11 40 1 18 11 7 1 19 10 36 1 20 10 12 1 21 10 9 1 22 25 22 ar 23 25 28 ar 24 17 14 ar 25 21 12 ar 26 21 26 ar 27 50 28 1 28 16 4 ar 29 3 7 1 30 3 13 am 31 22 19 ar 32 48 26 1 33 28 27 ar 34 7 30 1 35 12 23 ar 36 33 9 1 37 9 34 1 38 26 29 ar 39 14 13 1 40 14 15 ar 41 4 15 ar 42 4 18 ar 43 19 18 ar 44 19 24 ar 45 27 49 1 46 27 24 ar 47 13 1 2 48 15 41 1 49 18 43 1 50 24 2 2 51 23 46 1 52 23 6 ar 53 29 6 ar 54 29 51 1