@MOLECULE 2-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-methyl-6-methoxy-4(3h)-quinazolinone 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.4473 2.5312 0.3455 O.3 1 UNL1 -0.5524 2 O -3.7477 1.8900 0.0786 O.3 1 UNL1 -0.3586 3 O 3.3606 -2.7558 -0.2625 O.2 1 UNL1 -0.4891 4 O 7.8250 -0.4406 0.0651 O.3 1 UNL1 -0.2988 5 N -5.7501 -0.9868 -0.3815 N.3 1 UNL1 -0.5932 6 N 1.8621 -1.0608 -0.1405 N.ar 1 UNL1 -0.4683 7 N 2.5525 1.2085 0.0631 N.ar 1 UNL1 -0.4573 8 C -4.9449 -2.0977 0.1888 C.3 1 UNL1 0.2863 9 C -5.9461 0.1770 0.5042 C.3 1 UNL1 -0.1590 10 C -5.9989 1.4293 -0.4052 C.3 1 UNL1 0.1390 11 C -5.4921 -2.5951 1.5434 C.3 1 UNL1 -0.5109 12 C -3.4851 -1.6420 0.3511 C.3 1 UNL1 -0.4703 13 C -5.0023 -3.2522 -0.8354 C.3 1 UNL1 -0.4785 14 C -4.6283 1.7187 -1.0352 C.3 1 UNL1 -0.0983 15 C -2.4541 1.5232 -0.0690 C.ar 1 UNL1 0.2973 16 C 1.6054 0.3128 -0.0427 C.ar 1 UNL1 0.3890 17 C 0.1953 0.7519 -0.0569 C.ar 1 UNL1 -0.1375 18 C 4.2427 -0.5511 -0.0424 C.ar 1 UNL1 -0.1720 19 C 3.8855 0.8072 0.0673 C.ar 1 UNL1 0.1486 20 C 3.1866 -1.5620 -0.1590 C.ar 1 UNL1 0.5795 21 C -1.8367 1.2010 -1.2802 C.ar 1 UNL1 -0.3104 22 C -1.7480 1.5153 1.1475 C.ar 1 UNL1 -0.2734 23 C -0.5003 0.8128 -1.2634 C.ar 1 UNL1 -0.0400 24 C -0.4171 1.1313 1.1436 C.ar 1 UNL1 -0.0346 25 C 5.5833 -0.9340 -0.0400 C.ar 1 UNL1 -0.1676 26 C 0.7513 -2.0142 -0.2352 C.3 1 UNL1 -0.2321 27 C 4.8884 1.7913 0.1807 C.ar 1 UNL1 -0.1118 28 C 6.5579 0.0577 0.0741 C.ar 1 UNL1 0.2006 29 C 6.2194 1.4171 0.1847 C.ar 1 UNL1 -0.2281 30 C 8.8894 0.4927 0.1764 C.3 1 UNL1 -0.2060 31 H -6.6469 -1.3285 -0.7233 H 1 UNL1 0.2615 32 H -6.8788 0.1177 1.1037 H 1 UNL1 0.1330 33 H -5.1113 0.2759 1.2294 H 1 UNL1 0.1551 34 H -6.7788 1.3294 -1.1951 H 1 UNL1 0.1513 35 H -6.5402 -2.8976 1.4670 H 1 UNL1 0.1471 36 H -4.9246 -3.4608 1.9001 H 1 UNL1 0.1552 37 H -5.4228 -1.8224 2.3149 H 1 UNL1 0.1508 38 H -2.8419 -2.4762 0.6448 H 1 UNL1 0.1461 39 H -3.1026 -1.2298 -0.5917 H 1 UNL1 0.1601 40 H -3.3800 -0.8578 1.1089 H 1 UNL1 0.1515 41 H -6.0121 -3.6601 -0.9359 H 1 UNL1 0.1426 42 H -4.3414 -4.0722 -0.5386 H 1 UNL1 0.1516 43 H -4.6816 -2.9077 -1.8264 H 1 UNL1 0.1594 44 H -4.3273 0.8710 -1.6789 H 1 UNL1 0.1594 45 H -4.6133 2.6694 -1.5935 H 1 UNL1 0.1447 46 H -5.7643 2.8222 0.9844 H 1 UNL1 0.3269 47 H -2.3735 1.2542 -2.2216 H 1 UNL1 0.1696 48 H -2.2512 1.8076 2.0650 H 1 UNL1 0.1745 49 H 0.0038 0.5586 -2.1976 H 1 UNL1 0.1592 50 H 0.1577 1.1234 2.0723 H 1 UNL1 0.1654 51 H 5.8621 -1.9868 -0.1255 H 1 UNL1 0.1960 52 H 1.1154 -3.0503 -0.0767 H 1 UNL1 0.1823 53 H -0.0154 -1.8034 0.5305 H 1 UNL1 0.1537 54 H 0.2836 -1.9714 -1.2342 H 1 UNL1 0.1492 55 H 4.5909 2.8382 0.2632 H 1 UNL1 0.1783 56 H 6.9928 2.1757 0.2726 H 1 UNL1 0.1636 57 H 8.8474 1.0262 1.1306 H 1 UNL1 0.1333 58 H 8.8983 1.1827 -0.6726 H 1 UNL1 0.1334 59 H 9.7716 -0.1622 0.1445 H 1 UNL1 0.1532 @BOND 1 47 21 1 2 49 23 1 3 43 13 1 4 44 14 1 5 45 14 1 6 21 23 ar 7 21 15 ar 8 23 17 ar 9 54 26 1 10 34 10 1 11 14 10 1 12 14 2 1 13 41 13 1 14 13 42 1 15 13 8 1 16 31 5 1 17 58 30 1 18 39 12 1 19 10 1 1 20 10 9 1 21 5 8 1 22 5 9 1 23 3 20 2 24 26 6 1 25 26 52 1 26 26 53 1 27 20 6 ar 28 20 18 ar 29 6 16 ar 30 51 25 1 31 15 2 1 32 15 22 ar 33 17 16 1 34 17 24 ar 35 16 7 ar 36 18 25 ar 37 18 19 ar 38 25 28 ar 39 7 19 ar 40 4 28 1 41 4 30 1 42 19 27 ar 43 28 29 ar 44 59 30 1 45 30 57 1 46 27 29 ar 47 27 55 1 48 29 56 1 49 8 12 1 50 8 11 1 51 1 46 1 52 12 38 1 53 12 40 1 54 9 32 1 55 9 33 1 56 24 22 ar 57 24 50 1 58 22 48 1 59 35 11 1 60 11 36 1 61 11 37 1