@MOLECULE n-[4-chloro-5-(4-{[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}-1-piperazinyl)-2-nitrophenyl]-2-pyridinecarboxamide 66 70 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2219 2.5837 -0.4397 C.ar 1 UNL1111 -0.2229 2 C 0.4899 1.7915 -1.3400 C.ar 1 UNL1111 -0.0374 3 C 5.7802 4.0649 0.5397 C.ar 1 UNL1111 -0.0983 4 C 6.9488 3.4168 0.1537 C.ar 1 UNL1111 -0.2038 5 C -1.6085 2.4889 -0.3723 C.ar 1 UNL1111 -0.0630 6 C -0.1686 0.8862 -2.1668 C.ar 1 UNL1111 -0.3101 7 C 4.6075 3.3236 0.7007 C.ar 1 UNL1111 -0.1643 8 C 1.1831 -0.7987 0.7771 C.ar 1 UNL1111 -0.3753 9 C 1.6313 -3.3982 -0.1106 C.ar 1 UNL1111 -0.0194 10 C 6.9119 2.0291 -0.0682 C.ar 1 UNL1111 0.0558 11 C -2.2954 1.5856 -1.1861 C.ar 1 UNL1111 -0.1660 12 C -4.4622 1.2073 0.1725 C.ar 1 UNL1111 -0.3493 13 C 0.1501 -1.7347 0.8724 C.ar 1 UNL1111 0.2844 14 C 2.4444 -1.1195 0.2497 C.ar 1 UNL1111 0.3580 15 C 2.6562 -2.4406 -0.2364 C.ar 1 UNL1111 -0.2557 16 C -1.5581 0.7853 -2.0823 C.ar 1 UNL1111 0.2613 17 C 0.4202 -3.0565 0.4388 C.ar 1 UNL1111 -0.1466 18 C -3.7360 1.4509 -1.0690 C.ar 1 UNL1111 0.1544 19 C 4.6637 1.9479 0.4601 C.ar 1 UNL1111 0.0424 20 C -5.7844 1.1671 -0.1894 C.ar 1 UNL1111 0.1706 21 C -3.8315 1.1505 1.4918 C.2 1 UNL1111 0.6115 22 C 3.4151 1.1309 0.6448 C.2 1 UNL1111 0.5896 23 C -1.1204 -0.2207 2.3045 C.3 1 UNL1111 -0.1456 24 C -2.2267 -1.4886 0.4928 C.3 1 UNL1111 -0.1397 25 C -2.4780 -0.1456 3.0444 C.3 1 UNL1111 -0.0780 26 C -3.5722 -1.3166 1.2344 C.3 1 UNL1111 -0.0879 27 C -7.0428 0.9720 0.5272 C.3 1 UNL1111 -0.4558 28 C -1.6632 -0.9657 -3.6787 C.3 1 UNL1111 -0.2044 29 N 5.7901 1.3106 0.0807 N.ar 1 UNL1111 -0.3519 30 N -4.6133 1.5315 -2.0646 N.ar 1 UNL1111 -0.2135 31 N -1.0969 -1.4354 1.4548 N.pl3 1 UNL1111 -0.3992 32 N -3.5752 -0.1051 2.0625 N.am 1 UNL1111 -0.4686 33 N 3.4683 -0.1796 0.1704 N.am 1 UNL1111 -0.5296 34 N 3.8760 -2.8837 -0.8530 N.pl3 1 UNL1111 0.6649 35 O 3.9457 -4.0406 -1.2378 O.2 1 UNL1111 -0.4018 36 O -3.5650 2.1533 2.1234 O.2 1 UNL1111 -0.5017 37 O 2.4361 1.6220 1.1599 O.2 1 UNL1111 -0.4855 38 O 4.8116 -2.0985 -0.9881 O.2 1 UNL1111 -0.4480 39 O -5.8821 1.3589 -1.5520 O.2 1 UNL1111 0.0234 40 O -2.3254 -0.0969 -2.7678 O.3 1 UNL1111 -0.2928 41 CL -0.7231 -4.2994 0.6615 Cl 1 UNL1111 -0.0446 42 H 0.3099 3.2718 0.2161 H 1 UNL1111 0.1721 43 H 1.5759 1.8773 -1.3922 H 1 UNL1111 0.1513 44 H 5.7762 5.1408 0.7175 H 1 UNL1111 0.1638 45 H 7.8779 3.9667 0.0234 H 1 UNL1111 0.1692 46 H -2.1699 3.1182 0.3278 H 1 UNL1111 0.1812 47 H 0.3987 0.2746 -2.8604 H 1 UNL1111 0.1697 48 H 3.6727 3.7952 1.0106 H 1 UNL1111 0.1909 49 H 0.9898 0.2334 1.0958 H 1 UNL1111 0.2269 50 H 1.8214 -4.4291 -0.4501 H 1 UNL1111 0.2000 51 H 7.8031 1.4667 -0.3761 H 1 UNL1111 0.1826 52 H -0.9643 0.7156 1.7184 H 1 UNL1111 0.1525 53 H -0.2951 -0.2923 3.0474 H 1 UNL1111 0.1600 54 H -2.2307 -2.4569 -0.0486 H 1 UNL1111 0.1644 55 H -2.1236 -0.6970 -0.2823 H 1 UNL1111 0.1505 56 H -2.6199 -1.0317 3.7016 H 1 UNL1111 0.1567 57 H -2.5121 0.7605 3.6928 H 1 UNL1111 0.1735 58 H -4.4064 -1.2918 0.5008 H 1 UNL1111 0.1526 59 H -3.7538 -2.1910 1.9041 H 1 UNL1111 0.1645 60 H -7.1259 1.6650 1.3867 H 1 UNL1111 0.1906 61 H -7.9290 1.1368 -0.1083 H 1 UNL1111 0.1782 62 H -7.1224 -0.0494 0.9413 H 1 UNL1111 0.1825 63 H -1.1717 -0.3979 -4.4748 H 1 UNL1111 0.1393 64 H -0.9600 -1.6218 -3.1570 H 1 UNL1111 0.1339 65 H -2.5039 -1.5443 -4.0880 H 1 UNL1111 0.1578 66 H 4.3768 -0.5029 -0.2341 H 1 UNL1111 0.3800 @BOND 1 1 5 ar 2 1 42 1 3 2 1 ar 4 2 43 1 5 3 7 ar 6 3 44 1 7 4 3 ar 8 4 45 1 9 5 46 1 10 6 2 ar 11 6 16 ar 12 6 47 1 13 7 48 1 14 8 13 ar 15 8 49 1 16 9 17 ar 17 9 50 1 18 10 4 ar 19 10 29 ar 20 10 51 1 21 11 5 ar 22 11 18 1 23 12 18 ar 24 12 20 ar 25 13 31 1 26 14 8 ar 27 15 9 ar 28 15 14 ar 29 16 11 ar 30 17 41 1 31 17 13 ar 32 18 30 ar 33 19 7 ar 34 19 22 1 35 20 27 1 36 20 39 ar 37 21 36 2 38 21 12 1 39 22 37 2 40 23 31 1 41 23 25 1 42 23 52 1 43 23 53 1 44 24 26 1 45 24 54 1 46 24 55 1 47 25 32 1 48 25 56 1 49 25 57 1 50 26 58 1 51 26 59 1 52 27 60 1 53 27 61 1 54 27 62 1 55 28 40 1 56 28 63 1 57 28 64 1 58 28 65 1 59 29 19 ar 60 30 39 ar 61 31 24 1 62 32 26 1 63 32 21 am 64 33 14 1 65 33 22 am 66 33 66 1 67 34 15 1 68 35 34 2 69 38 34 2 70 40 16 1