@MOLECULE 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2h-chromen-2-one 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.4990 -1.4696 -0.2019 S.2 1 UNL1 0.1760 2 O 1.0527 -1.5998 0.2591 O.2 1 UNL1 -0.3658 3 O -0.8717 -2.5970 0.2621 O.2 1 UNL1 -0.4049 4 N 5.4235 0.2081 0.4485 N.pl3 1 UNL1 -0.4146 5 N -3.0049 1.0842 0.1445 N.ar 1 UNL1 -0.4137 6 C 4.0682 0.3831 0.3116 C.ar 1 UNL1 0.3559 7 C 6.3549 1.3282 0.2431 C.3 1 UNL1 -0.0537 8 C 6.0171 -1.1363 0.3530 C.3 1 UNL1 -0.0535 9 C 1.2570 0.7954 0.2009 C.ar 1 UNL1 -0.3228 10 C 1.8208 -0.4953 0.2560 C.ar 1 UNL1 0.3976 11 C 3.1929 -0.7216 0.3028 C.ar 1 UNL1 -0.4429 12 C 3.5055 1.7017 0.2583 C.ar 1 UNL1 -0.3624 13 C 2.1473 1.8905 0.2078 C.ar 1 UNL1 0.0360 14 C -0.1543 0.9187 0.1374 C.ar 1 UNL1 0.1240 15 C -0.9490 -0.1963 0.1344 C.ar 1 UNL1 -0.3102 16 C 6.4580 1.7681 -1.2207 C.3 1 UNL1 -0.4772 17 C 6.0216 -1.6959 -1.0724 C.3 1 UNL1 -0.4755 18 C -2.3836 -0.0677 0.0567 C.ar 1 UNL1 0.1633 19 C -0.3537 -1.5166 0.2181 C.ar 1 UNL1 0.6066 20 C -4.8602 -0.3675 -0.1843 C.ar 1 UNL1 -0.1868 21 C -4.3951 0.9561 0.0159 C.ar 1 UNL1 0.1200 22 C -6.2177 -0.6263 -0.3273 C.ar 1 UNL1 -0.1207 23 C -5.2945 2.0268 0.0746 C.ar 1 UNL1 -0.1436 24 C -7.1046 0.4429 -0.2690 C.ar 1 UNL1 -0.1565 25 C -6.6471 1.7547 -0.0696 C.ar 1 UNL1 -0.1432 26 H 6.0351 2.1826 0.8859 H 1 UNL1 0.1468 27 H 7.3597 1.0300 0.6226 H 1 UNL1 0.1433 28 H 7.0564 -1.0952 0.7521 H 1 UNL1 0.1409 29 H 5.4593 -1.8200 1.0385 H 1 UNL1 0.1546 30 H 3.5508 -1.7456 0.3357 H 1 UNL1 0.1922 31 H 4.1626 2.5652 0.2647 H 1 UNL1 0.1656 32 H 1.7347 2.9024 0.1703 H 1 UNL1 0.1544 33 H -0.6029 1.9221 0.0888 H 1 UNL1 0.1832 34 H 6.8957 0.9851 -1.8505 H 1 UNL1 0.1548 35 H 5.4735 2.0065 -1.6444 H 1 UNL1 0.1637 36 H 7.0851 2.6613 -1.3198 H 1 UNL1 0.1537 37 H 5.0184 -1.6727 -1.5204 H 1 UNL1 0.1678 38 H 6.6828 -1.1257 -1.7333 H 1 UNL1 0.1497 39 H 6.3598 -2.7388 -1.0834 H 1 UNL1 0.1574 40 H -6.5860 -1.6397 -0.4813 H 1 UNL1 0.1623 41 H -4.9243 3.0378 0.2306 H 1 UNL1 0.1701 42 H -8.1731 0.2643 -0.3785 H 1 UNL1 0.1542 43 H -7.3695 2.5690 -0.0278 H 1 UNL1 0.1541 @BOND 1 34 16 1 2 38 17 1 3 35 16 1 4 37 17 1 5 36 16 1 6 16 7 1 7 39 17 1 8 17 8 1 9 40 22 1 10 42 24 1 11 22 24 ar 12 22 20 ar 13 24 25 ar 14 1 20 ar 15 1 18 ar 16 20 21 ar 17 25 43 1 18 25 23 ar 19 21 23 ar 20 21 5 ar 21 18 15 1 22 18 5 ar 23 23 41 1 24 33 14 1 25 15 14 ar 26 15 19 ar 27 14 9 ar 28 32 13 1 29 9 13 ar 30 9 10 ar 31 13 12 ar 32 19 2 ar 33 19 3 2 34 7 4 1 35 7 27 1 36 7 26 1 37 10 2 ar 38 10 11 ar 39 12 31 1 40 12 6 ar 41 11 6 ar 42 11 30 1 43 6 4 1 44 8 4 1 45 8 28 1 46 8 29 1