@MOLECULE 2,2'-({4-[(1z)-n-(4,5-diphenyl-1,3-thiazol-2-yl)ethanehydrazonoyl]phenyl}imino)diethanol 62 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5977 2.7941 -0.8397 C.ar 1 UNL1 -0.1526 2 C 5.3659 1.8536 1.2553 C.ar 1 UNL1 -0.1437 3 C 5.2067 -2.2644 0.6944 C.ar 1 UNL1 -0.1323 4 C 5.7764 -0.7876 -1.1410 C.ar 1 UNL1 -0.1175 5 C 5.6269 3.7310 -0.7893 C.ar 1 UNL1 -0.1503 6 C 6.3941 2.7903 1.2979 C.ar 1 UNL1 -0.1475 7 C 6.4403 -2.8969 0.5605 C.ar 1 UNL1 -0.1478 8 C 7.0080 -1.4236 -1.2690 C.ar 1 UNL1 -0.1488 9 C -3.8178 -2.0326 0.8034 C.ar 1 UNL1 -0.0530 10 C -2.7954 -0.5375 -0.7821 C.ar 1 UNL1 -0.0173 11 C -4.9667 -1.2548 0.8086 C.ar 1 UNL1 -0.3005 12 C -3.9400 0.2465 -0.7936 C.ar 1 UNL1 -0.3093 13 C 6.5270 3.7280 0.2748 C.ar 1 UNL1 -0.1476 14 C 7.3401 -2.4772 -0.4183 C.ar 1 UNL1 -0.1274 15 C -6.3613 1.7480 -0.9715 C.3 1 UNL1 -0.1063 16 C -7.4275 0.2009 0.6152 C.3 1 UNL1 -0.1485 17 C -6.7012 1.1364 -2.3440 C.3 1 UNL1 -0.0396 18 C -7.5118 0.5087 2.1244 C.3 1 UNL1 -0.0104 19 C -1.7347 -4.0122 -0.1148 C.3 1 UNL1 -0.4525 20 H -8.4054 0.4607 -3.1066 H 1 UNL1 0.3152 21 H -6.8658 2.3531 1.9083 H 1 UNL1 0.3223 22 H 2.3804 -2.2405 -0.1261 H 1 UNL1 0.3407 23 C 4.4666 1.8489 0.1824 C.ar 1 UNL1 0.0290 24 C 4.8766 -1.2075 -0.1571 C.ar 1 UNL1 -0.0512 25 C -2.7246 -1.6917 0.0035 C.ar 1 UNL1 -0.1578 26 C -5.0494 -0.0958 0.0076 C.ar 1 UNL1 0.2560 27 O -8.1031 0.9192 -2.3004 O.3 1 UNL1 -0.5574 28 O -7.6257 1.8994 2.3338 O.3 1 UNL1 -0.5416 29 C -1.5154 -2.5279 -0.0150 C.2 1 UNL1 0.2402 30 C 3.4309 0.8410 0.1275 C.ar 1 UNL1 -0.2903 31 C 3.6034 -0.5035 -0.0088 C.ar 1 UNL1 0.1829 32 C 1.2535 -0.4660 0.1238 C.ar 1 UNL1 0.2820 33 N 0.0028 -0.8166 0.1342 N.2 1 UNL1 -0.3656 34 N -0.2685 -2.1589 0.0267 N.2 1 UNL1 -0.3069 35 N -6.1624 0.7534 0.0924 N.pl3 1 UNL1 -0.4269 36 N 2.4137 -1.2410 -0.0041 N.ar 1 UNL1 -0.4862 37 S 1.7242 1.2652 0.2774 S.2 1 UNL1 0.2321 38 H 3.9021 2.7938 -1.6773 H 1 UNL1 0.1593 39 H 5.2604 1.1179 2.0514 H 1 UNL1 0.1595 40 H 4.5097 -2.5822 1.4691 H 1 UNL1 0.1604 41 H 5.5146 0.0428 -1.7979 H 1 UNL1 0.1640 42 H 5.7294 4.4666 -1.5845 H 1 UNL1 0.1469 43 H 7.0958 2.7887 2.1296 H 1 UNL1 0.1504 44 H 6.7026 -3.7188 1.2242 H 1 UNL1 0.1521 45 H 7.7115 -1.0942 -2.0314 H 1 UNL1 0.1542 46 H -3.7686 -2.9164 1.4405 H 1 UNL1 0.1480 47 H -1.9351 -0.2466 -1.3916 H 1 UNL1 0.1676 48 H -5.7927 -1.5469 1.4489 H 1 UNL1 0.1599 49 H -3.9524 1.1369 -1.4132 H 1 UNL1 0.1584 50 H 7.3325 4.4580 0.3082 H 1 UNL1 0.1468 51 H 8.3044 -2.9720 -0.5186 H 1 UNL1 0.1492 52 H -2.0730 -4.4229 0.8469 H 1 UNL1 0.1639 53 H -2.4948 -4.2480 -0.8721 H 1 UNL1 0.1640 54 H -0.8138 -4.5505 -0.3881 H 1 UNL1 0.1712 55 H -5.4533 2.3882 -1.0443 H 1 UNL1 0.1528 56 H -7.1938 2.4300 -0.6633 H 1 UNL1 0.1717 57 H -7.5251 -0.8879 0.4241 H 1 UNL1 0.1413 58 H -8.2982 0.6698 0.0953 H 1 UNL1 0.1762 59 H -6.4766 1.8364 -3.1675 H 1 UNL1 0.1213 60 H -6.1837 0.1758 -2.5135 H 1 UNL1 0.1311 61 H -8.4378 0.1032 2.5702 H 1 UNL1 0.1386 62 H -6.6293 0.1377 2.6762 H 1 UNL1 0.1277 @BOND 1 59 17 1 2 20 27 1 3 60 17 1 4 17 27 1 5 17 15 1 6 45 8 1 7 41 4 1 8 38 1 1 9 42 5 1 10 49 12 1 11 47 10 1 12 8 4 ar 13 8 14 ar 14 4 24 ar 15 55 15 1 16 15 56 1 17 15 35 1 18 53 19 1 19 1 5 ar 20 1 23 ar 21 12 10 ar 22 12 26 ar 23 5 13 ar 24 10 25 ar 25 51 14 1 26 14 7 ar 27 54 19 1 28 24 31 1 29 24 3 ar 30 22 36 1 31 19 29 1 32 19 52 1 33 29 25 1 34 29 34 2 35 31 36 ar 36 31 30 ar 37 36 32 ar 38 25 9 ar 39 26 35 1 40 26 11 ar 41 34 33 1 42 35 16 1 43 58 16 1 44 32 33 2 45 32 37 ar 46 30 23 1 47 30 37 ar 48 23 2 ar 49 13 50 1 50 13 6 ar 51 57 16 1 52 7 3 ar 53 7 44 1 54 16 18 1 55 3 40 1 56 9 11 ar 57 9 46 1 58 11 48 1 59 2 6 ar 60 2 39 1 61 6 43 1 62 21 28 1 63 18 28 1 64 18 61 1 65 18 62 1