@MOLECULE n'-{2-[(e)-2-(4-methoxyphenyl)vinyl]-4-quinazolinyl}-n,n-dimethyl-1,3-propanediamine 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.8165 -0.4302 -0.2460 O.3 1 UNL1111111111 -0.3173 2 N 5.0782 -2.3919 -0.2853 N.3 1 UNL1111111111 -0.4052 3 N 2.6667 -0.8608 0.0542 N.pl3 1 UNL1111111111 -0.4833 4 N 0.5850 0.1782 -0.0285 N.ar 1 UNL1111111111 -0.6008 5 N 0.3567 2.5665 0.0780 N.ar 1 UNL1111111111 -0.5280 6 C 2.8761 -3.2943 0.5812 C.3 1 UNL1111111111 -0.3019 7 C 4.3616 -2.9931 0.8702 C.3 1 UNL1111111111 -0.1191 8 C 2.0508 -2.1827 -0.1098 C.3 1 UNL1111111111 -0.0510 9 C 1.9332 0.2826 0.0111 C.ar 1 UNL1111111111 0.4358 10 C 2.5878 1.5771 0.0606 C.ar 1 UNL1111111111 -0.2590 11 C 1.7226 2.7004 0.0964 C.ar 1 UNL1111111111 0.2535 12 C 6.4525 -2.0115 0.1116 C.3 1 UNL1111111111 -0.2857 13 C 5.1094 -3.2958 -1.4522 C.3 1 UNL1111111111 -0.2796 14 C 3.9839 1.7771 0.0741 C.ar 1 UNL1111111111 -0.0781 15 C -0.1568 1.3310 0.0166 C.ar 1 UNL1111111111 0.4191 16 C 2.2770 4.0115 0.1501 C.ar 1 UNL1111111111 -0.1893 17 C 4.5011 3.0501 0.1253 C.ar 1 UNL1111111111 -0.2002 18 C 3.6386 4.1721 0.1643 C.ar 1 UNL1111111111 -0.0930 19 C -1.6207 1.2115 -0.0106 C.2 1 UNL1111111111 -0.1899 20 C -2.2515 0.0278 -0.0384 C.2 1 UNL1111111111 -0.0705 21 C -3.7037 -0.1062 -0.0720 C.ar 1 UNL1111111111 -0.0933 22 C -4.4978 0.8046 -0.7860 C.ar 1 UNL1111111111 -0.0692 23 C -4.3109 -1.1659 0.6076 C.ar 1 UNL1111111111 -0.0739 24 C -6.4633 -0.4072 -0.1243 C.ar 1 UNL1111111111 0.2539 25 C -5.8751 0.6617 -0.8213 C.ar 1 UNL1111111111 -0.2591 26 C -5.6951 -1.3220 0.5949 C.ar 1 UNL1111111111 -0.3086 27 C -8.5155 -1.4608 0.4367 C.3 1 UNL1111111111 -0.2027 28 H 2.3979 -3.5359 1.5534 H 1 UNL1111111111 0.1483 29 H 2.7960 -4.2146 -0.0285 H 1 UNL1111111111 0.1391 30 H 4.8495 -3.9246 1.2306 H 1 UNL1111111111 0.1145 31 H 4.4184 -2.2594 1.7095 H 1 UNL1111111111 0.1496 32 H 1.9506 -2.4020 -1.1988 H 1 UNL1111111111 0.1350 33 H 1.0130 -2.1729 0.3063 H 1 UNL1111111111 0.1726 34 H 3.6746 -0.8444 -0.1130 H 1 UNL1111111111 0.3476 35 H 7.0882 -2.8554 0.4164 H 1 UNL1111111111 0.1218 36 H 6.4061 -1.2919 0.9459 H 1 UNL1111111111 0.1481 37 H 6.9411 -1.4995 -0.7347 H 1 UNL1111111111 0.1503 38 H 4.0777 -3.4734 -1.7994 H 1 UNL1111111111 0.1503 39 H 5.6471 -2.8025 -2.2796 H 1 UNL1111111111 0.1476 40 H 5.5849 -4.2684 -1.2610 H 1 UNL1111111111 0.1192 41 H 4.6535 0.9177 0.0423 H 1 UNL1111111111 0.1473 42 H 1.5906 4.8579 0.1777 H 1 UNL1111111111 0.1786 43 H 5.5760 3.2116 0.1360 H 1 UNL1111111111 0.1537 44 H 4.0766 5.1691 0.2060 H 1 UNL1111111111 0.1496 45 H -2.1516 2.1680 0.0044 H 1 UNL1111111111 0.1821 46 H -1.6858 -0.9123 -0.0302 H 1 UNL1111111111 0.1728 47 H -4.0235 1.6271 -1.3252 H 1 UNL1111111111 0.1630 48 H -3.6968 -1.8754 1.1623 H 1 UNL1111111111 0.1520 49 H -6.5053 1.3537 -1.3736 H 1 UNL1111111111 0.1715 50 H -6.1513 -2.1431 1.1349 H 1 UNL1111111111 0.1598 51 H -8.2302 -2.4459 0.0552 H 1 UNL1111111111 0.1336 52 H -8.3616 -1.3887 1.5178 H 1 UNL1111111111 0.1348 53 H -9.5613 -1.2389 0.1822 H 1 UNL1111111111 0.1537 @BOND 1 1 24 1 2 1 27 1 3 2 7 1 4 2 12 1 5 2 13 1 6 3 8 1 7 3 9 1 8 3 34 1 9 4 9 ar 10 4 15 ar 11 5 11 ar 12 5 15 ar 13 6 7 1 14 6 8 1 15 6 28 1 16 6 29 1 17 7 30 1 18 7 31 1 19 8 32 1 20 8 33 1 21 9 10 ar 22 10 11 ar 23 10 14 ar 24 11 16 ar 25 12 35 1 26 12 36 1 27 12 37 1 28 13 38 1 29 13 39 1 30 13 40 1 31 14 17 ar 32 14 41 1 33 15 19 1 34 16 18 ar 35 16 42 1 36 17 18 ar 37 17 43 1 38 18 44 1 39 19 20 2 40 19 45 1 41 20 21 1 42 20 46 1 43 21 22 ar 44 21 23 ar 45 22 25 ar 46 22 47 1 47 23 26 ar 48 23 48 1 49 24 25 ar 50 24 26 ar 51 25 49 1 52 26 50 1 53 27 51 1 54 27 52 1 55 27 53 1