@MOLECULE 8-{2-[2-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)ethoxy]phenoxy}-2-indolizinecarbonitrile 45 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.4795 1.8054 -0.0046 O.3 1 UNL1 -0.2490 2 O -2.0438 -0.8436 0.5982 O.3 1 UNL1 -0.3072 3 O 0.1592 -0.9249 -2.3369 O.2 1 UNL1 -0.4859 4 O 3.9513 -1.4330 0.0995 O.2 1 UNL1 -0.4836 5 N 1.7489 1.0779 1.4373 N.ar 1 UNL1 -0.0905 6 N 0.1303 -2.4742 -0.6463 N.ar 1 UNL1 -0.4340 7 N 2.0958 -1.2137 -1.1555 N.ar 1 UNL1 -0.6188 8 N 4.5937 2.6946 -2.0035 N.1 1 UNL1 -0.2572 9 C 0.7412 1.5026 0.5380 C.ar 1 UNL1 -0.0300 10 C -1.3180 -2.6654 -0.7999 C.3 1 UNL1 -0.1087 11 C -0.6194 1.3104 0.9309 C.ar 1 UNL1 0.2559 12 C -2.0840 -2.2546 0.4674 C.3 1 UNL1 -0.0837 13 C 1.3680 2.0370 -0.5936 C.ar 1 UNL1 -0.1524 14 C 2.9804 1.3266 0.8787 C.ar 1 UNL1 -0.0680 15 C -2.7331 1.2579 -0.1225 C.ar 1 UNL1 0.1255 16 C 1.4291 0.4999 2.6607 C.ar 1 UNL1 -0.0813 17 C -3.0420 -0.1063 0.0342 C.ar 1 UNL1 0.1446 18 C 2.7647 1.9273 -0.3804 C.ar 1 UNL1 -0.1160 19 C -0.9379 0.7781 2.1489 C.ar 1 UNL1 -0.2903 20 C 0.1164 0.3604 3.0134 C.ar 1 UNL1 -0.1204 21 C 0.7572 -1.4770 -1.4411 C.ar 1 UNL1 0.7046 22 C 0.8104 -3.1315 0.3602 C.ar 1 UNL1 0.1545 23 C -3.6950 2.1580 -0.5751 C.ar 1 UNL1 -0.1482 24 C -4.3133 -0.5668 -0.2943 C.ar 1 UNL1 -0.2417 25 C 2.1099 -2.8556 0.6303 C.ar 1 UNL1 -0.4376 26 C -4.9669 1.6871 -0.8971 C.ar 1 UNL1 -0.1635 27 C -5.2697 0.3348 -0.7630 C.ar 1 UNL1 -0.1232 28 C 2.8247 -1.8251 -0.0989 C.ar 1 UNL1 0.6241 29 C 3.7690 2.3469 -1.2676 C.1 1 UNL1 0.1532 30 H -1.5213 -3.7292 -1.0585 H 1 UNL1 0.1539 31 H -1.6811 -2.0502 -1.6684 H 1 UNL1 0.2039 32 H -1.5772 -2.5730 1.4007 H 1 UNL1 0.1547 33 H -3.1090 -2.6596 0.4724 H 1 UNL1 0.1390 34 H 0.8769 2.4452 -1.4560 H 1 UNL1 0.1901 35 H 3.9108 1.0634 1.3498 H 1 UNL1 0.1949 36 H 2.2656 0.1847 3.2849 H 1 UNL1 0.1817 37 H -1.9680 0.6576 2.4714 H 1 UNL1 0.1796 38 H -0.1509 -0.0762 3.9755 H 1 UNL1 0.1646 39 H 0.2483 -3.8973 0.9102 H 1 UNL1 0.1636 40 H -3.4371 3.2121 -0.6849 H 1 UNL1 0.1797 41 H -4.5732 -1.6157 -0.1895 H 1 UNL1 0.1574 42 H 2.5531 -0.4713 -1.6997 H 1 UNL1 0.3552 43 H 2.6746 -3.3813 1.3948 H 1 UNL1 0.2000 44 H -5.7234 2.3820 -1.2578 H 1 UNL1 0.1586 45 H -6.2633 -0.0268 -1.0237 H 1 UNL1 0.1520 @BOND 1 3 21 2 2 8 29 3 3 42 7 1 4 31 10 1 5 34 13 1 6 21 7 ar 7 21 6 ar 8 29 18 1 9 44 26 1 10 7 28 ar 11 30 10 1 12 45 27 1 13 26 27 ar 14 26 23 ar 15 10 6 1 16 10 12 1 17 27 24 ar 18 40 23 1 19 6 22 ar 20 13 18 ar 21 13 9 ar 22 23 15 ar 23 18 14 ar 24 24 41 1 25 24 17 ar 26 15 1 1 27 15 17 ar 28 28 4 2 29 28 25 ar 30 1 11 1 31 17 2 1 32 22 25 ar 33 22 39 1 34 12 33 1 35 12 2 1 36 12 32 1 37 9 11 ar 38 9 5 ar 39 25 43 1 40 14 35 1 41 14 5 ar 42 11 19 ar 43 5 16 ar 44 19 37 1 45 19 20 ar 46 16 20 ar 47 16 36 1 48 20 38 1