@MOLECULE 1-[4-(1-amino-5-isoquinolinyl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]urea 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.8673 1.2302 -1.2784 N.ar 1 UNL1111111111 -0.3500 2 C -0.4838 0.1557 0.1612 C.ar 1 UNL1111111111 -0.2056 3 C -2.4121 2.1431 -0.2498 C.ar 1 UNL1111111111 -0.0964 4 C -4.1710 0.6720 0.6955 C.ar 1 UNL1111111111 -0.0510 5 C -6.0598 1.1096 2.1475 C.ar 1 UNL1111111111 -0.1790 6 C -7.0407 -1.4568 -0.4255 C.ar 1 UNL1111111111 0.4060 7 C -5.2435 -1.8428 -1.8501 C.ar 1 UNL1111111111 0.1213 8 C -4.4375 -0.9513 -1.1768 C.ar 1 UNL1111111111 -0.3393 9 C 6.9729 -2.8297 0.3098 C.3 1 UNL1111111111 -0.4541 10 C 7.3577 -1.3971 0.7131 C.3 1 UNL1111111111 0.1107 11 C 7.2860 -1.2394 2.2401 C.3 1 UNL1111111111 -0.4539 12 C 8.7769 -1.0793 0.2218 C.3 1 UNL1111111111 -0.4651 13 C 6.3774 -0.4614 0.0975 C.ar 1 UNL1111111111 0.0725 14 C 5.0226 -0.2871 0.2082 C.ar 1 UNL1111111111 -0.3318 15 C 4.7296 0.8091 -0.6914 C.ar 1 UNL1111111111 0.3029 16 N 3.5139 1.4207 -0.9849 N.am 1 UNL1111111111 -0.5633 17 C 2.3128 0.9610 -0.4108 C.2 1 UNL1111111111 0.7276 18 O 2.2782 0.0445 0.3770 O.2 1 UNL1111111111 -0.4992 19 N 1.1902 1.6688 -0.8542 N.am 1 UNL1111111111 -0.5850 20 C -0.1253 1.3826 -0.4110 C.ar 1 UNL1111111111 0.2312 21 C -1.8068 -0.0660 0.5251 C.ar 1 UNL1111111111 -0.0996 22 C -2.7748 0.9197 0.3182 C.ar 1 UNL1111111111 -0.0570 23 C -1.0934 2.3820 -0.6152 C.ar 1 UNL1111111111 -0.2519 24 C -4.7188 1.3395 1.7661 C.ar 1 UNL1111111111 -0.1102 25 C -6.8296 0.2093 1.4529 C.ar 1 UNL1111111111 -0.1057 26 C -6.2898 -0.4943 0.3506 C.ar 1 UNL1111111111 -0.1777 27 N -8.3649 -1.7352 -0.1549 N.pl3 1 UNL1111111111 -0.6038 28 N -6.5265 -2.1114 -1.4825 N.ar 1 UNL1111111111 -0.5076 29 C -4.9540 -0.2606 -0.0493 C.ar 1 UNL1111111111 0.1022 30 O 6.8976 0.4531 -0.7980 O.2 1 UNL1111111111 0.0519 31 H 0.2577 -0.6297 0.3248 H 1 UNL1111111111 0.1966 32 H -3.1698 2.9098 -0.4115 H 1 UNL1111111111 0.1576 33 H -6.4680 1.6552 2.9958 H 1 UNL1111111111 0.1572 34 H -4.8995 -2.4049 -2.7275 H 1 UNL1111111111 0.1704 35 H -3.4172 -0.7667 -1.4997 H 1 UNL1111111111 0.1815 36 H 5.9623 -3.0854 0.6509 H 1 UNL1111111111 0.1567 37 H 6.9938 -2.9598 -0.7785 H 1 UNL1111111111 0.1538 38 H 7.6633 -3.5611 0.7438 H 1 UNL1111111111 0.1532 39 H 7.9825 -1.9209 2.7405 H 1 UNL1111111111 0.1530 40 H 7.5404 -0.2192 2.5507 H 1 UNL1111111111 0.1539 41 H 6.2802 -1.4560 2.6203 H 1 UNL1111111111 0.1569 42 H 8.8632 -1.1855 -0.8666 H 1 UNL1111111111 0.1566 43 H 9.0741 -0.0545 0.4763 H 1 UNL1111111111 0.1566 44 H 9.5116 -1.7543 0.6750 H 1 UNL1111111111 0.1548 45 H 4.3099 -0.8172 0.8085 H 1 UNL1111111111 0.2140 46 H 3.5337 2.1660 -1.6741 H 1 UNL1111111111 0.3307 47 H 1.3068 2.5172 -1.3962 H 1 UNL1111111111 0.3155 48 H -2.0934 -1.0192 0.9727 H 1 UNL1111111111 0.1637 49 H -0.8216 3.3371 -1.0553 H 1 UNL1111111111 0.1555 50 H -4.1205 2.0521 2.3354 H 1 UNL1111111111 0.1606 51 H -7.8640 0.0421 1.7462 H 1 UNL1111111111 0.1430 52 H -8.7641 -1.4989 0.7248 H 1 UNL1111111111 0.3010 53 H -8.8205 -2.4557 -0.6859 H 1 UNL1111111111 0.3179 @BOND 1 1 15 ar 2 2 21 ar 3 2 31 1 4 3 22 ar 5 3 32 1 6 4 24 ar 7 5 33 1 8 6 26 ar 9 6 27 1 10 7 8 ar 11 7 28 ar 12 7 34 1 13 8 29 ar 14 8 35 1 15 9 10 1 16 9 36 1 17 9 37 1 18 9 38 1 19 10 11 1 20 10 13 1 21 11 39 1 22 11 40 1 23 11 41 1 24 12 10 1 25 12 42 1 26 12 43 1 27 12 44 1 28 13 30 ar 29 13 14 ar 30 14 15 ar 31 14 45 1 32 15 16 1 33 16 17 am 34 16 46 1 35 17 19 am 36 18 17 2 37 19 20 1 38 19 47 1 39 20 2 ar 40 21 48 1 41 22 21 ar 42 22 4 1 43 23 20 ar 44 23 3 ar 45 23 49 1 46 24 5 ar 47 24 50 1 48 25 5 ar 49 25 51 1 50 26 25 ar 51 27 52 1 52 27 53 1 53 28 6 ar 54 29 4 ar 55 29 26 ar 56 30 1 ar