@MOLECULE ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-{[(methylcarbamoyl)oxy]methyl}-4-oxo-3,4-dihydro-6-quinazolinecarboxylate 53 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -2.4628 0.3975 1.9053 Cl 1 UNL1 -0.0641 2 O 0.0739 1.9762 0.2213 O.2 1 UNL1 -0.4664 3 O -3.0609 -2.0621 -0.2882 O.3 1 UNL1 -0.4134 4 O 5.7001 0.4885 -0.2358 O.3 1 UNL1 -0.4193 5 O 5.4073 0.0077 1.9364 O.2 1 UNL1 -0.5032 6 O -4.8483 -0.8028 -0.9564 O.2 1 UNL1 -0.5504 7 N -1.0398 0.2307 -0.6793 N.ar 1 UNL1 -0.4893 8 N -0.0050 -1.8644 -1.0501 N.ar 1 UNL1 -0.4778 9 N -4.7393 -1.7652 1.1485 N.am 1 UNL1 -0.5498 10 C 1.3264 -0.0349 -0.1237 C.ar 1 UNL1 -0.3161 11 C 2.5676 0.4316 0.3587 C.ar 1 UNL1 0.2242 12 C 1.2111 -1.3601 -0.5990 C.ar 1 UNL1 0.2950 13 C 3.6580 -0.4323 0.3271 C.ar 1 UNL1 -0.2599 14 C 0.1532 0.8273 -0.1399 C.ar 1 UNL1 0.6118 15 C 3.5489 -1.7504 -0.1601 C.ar 1 UNL1 0.1789 16 C -1.0728 -1.1084 -1.0538 C.ar 1 UNL1 0.3904 17 C 2.3267 -2.2156 -0.6167 C.ar 1 UNL1 -0.2707 18 C -2.2172 1.0461 -0.6780 C.ar 1 UNL1 0.1351 19 C 2.6932 1.8132 0.8846 C.3 1 UNL1 -0.4720 20 C -2.3791 -1.7482 -1.4921 C.3 1 UNL1 -0.0307 21 C 4.7467 -2.6334 -0.1755 C.3 1 UNL1 -0.4767 22 C 4.9756 0.0239 0.8124 C.2 1 UNL1 0.6225 23 C -2.9421 1.2359 0.5009 C.ar 1 UNL1 -0.0034 24 C -2.6192 1.6980 -1.8470 C.ar 1 UNL1 -0.1365 25 C -4.0475 2.0728 0.5473 C.ar 1 UNL1 -0.1516 26 C -3.7409 2.5237 -1.8121 C.ar 1 UNL1 -0.1267 27 C -4.4469 2.7154 -0.6244 C.ar 1 UNL1 -0.1124 28 C 7.0109 0.9883 0.0662 C.3 1 UNL1 -0.0013 29 C -4.2863 -1.4534 -0.1045 C.2 1 UNL1 0.7030 30 C 7.5262 1.4966 -1.2704 C.3 1 UNL1 -0.4614 31 C -5.9284 -1.0772 1.6533 C.3 1 UNL1 -0.2157 32 H 2.2051 -3.2319 -0.9897 H 1 UNL1 0.1875 33 H 2.4481 2.5634 0.1101 H 1 UNL1 0.1897 34 H 3.6898 2.0587 1.2741 H 1 UNL1 0.1643 35 H 1.9728 1.9980 1.7052 H 1 UNL1 0.1959 36 H -2.1978 -2.7371 -1.9717 H 1 UNL1 0.1863 37 H -2.9678 -1.1015 -2.1742 H 1 UNL1 0.1773 38 H 5.1507 -2.7776 0.8411 H 1 UNL1 0.1782 39 H 5.5566 -2.1975 -0.7839 H 1 UNL1 0.1747 40 H 4.5399 -3.6324 -0.5831 H 1 UNL1 0.1648 41 H -2.0550 1.5658 -2.7698 H 1 UNL1 0.1717 42 H -4.5950 2.2282 1.4763 H 1 UNL1 0.1698 43 H -4.0674 3.0259 -2.7228 H 1 UNL1 0.1611 44 H -5.3190 3.3687 -0.6109 H 1 UNL1 0.1580 45 H 7.6147 0.1607 0.4765 H 1 UNL1 0.1301 46 H 6.9211 1.7858 0.8248 H 1 UNL1 0.1347 47 H 6.8669 2.2741 -1.6805 H 1 UNL1 0.1618 48 H 7.5678 0.6916 -2.0156 H 1 UNL1 0.1578 49 H 8.5309 1.9216 -1.1727 H 1 UNL1 0.1520 50 H -4.1416 -2.2325 1.8153 H 1 UNL1 0.3304 51 H -6.5278 -1.7777 2.2607 H 1 UNL1 0.1491 52 H -5.6569 -0.2030 2.2724 H 1 UNL1 0.1417 53 H -6.5634 -0.7204 0.8182 H 1 UNL1 0.1711 @BOND 1 41 24 1 2 43 26 1 3 37 20 1 4 48 30 1 5 36 20 1 6 24 26 ar 7 24 18 ar 8 26 27 ar 9 47 30 1 10 20 16 1 11 20 3 1 12 30 49 1 13 30 28 1 14 16 8 ar 15 16 7 ar 16 8 12 ar 17 32 17 1 18 6 29 2 19 39 21 1 20 7 18 1 21 7 14 ar 22 18 23 ar 23 27 44 1 24 27 25 ar 25 17 12 ar 26 17 15 ar 27 12 10 ar 28 40 21 1 29 3 29 1 30 4 28 1 31 4 22 1 32 21 15 1 33 21 38 1 34 15 13 ar 35 14 10 ar 36 14 2 2 37 10 11 ar 38 29 9 am 39 28 45 1 40 28 46 1 41 33 19 1 42 13 11 ar 43 13 22 1 44 11 19 1 45 23 25 ar 46 23 1 1 47 25 42 1 48 22 5 2 49 53 31 1 50 19 34 1 51 19 35 1 52 9 31 1 53 9 50 1 54 31 51 1 55 31 52 1