@MOLECULE bis[4-(2-hydroxyethyl)-1-piperazinyl]dithioperoxyanhydride 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.0445 1.4874 0.6913 S.3 1 UNL1111111111 0.0481 2 S 0.7603 1.0138 1.3424 S.3 1 UNL1111111111 0.0703 3 S -0.6464 -1.0052 -0.9620 S.2 1 UNL1111111111 -0.4876 4 S 1.9831 2.9591 -0.5755 S.2 1 UNL1111111111 -0.4256 5 O -9.0358 -1.3363 0.8220 O.3 1 UNL1111111111 -0.5613 6 O 8.6963 -2.0834 0.4691 O.3 1 UNL1111111111 -0.5634 7 N -5.6311 -0.6222 -0.1860 N.3 1 UNL1111111111 -0.4336 8 N 5.2895 -0.8977 0.0866 N.3 1 UNL1111111111 -0.4266 9 N -2.9659 0.2706 -0.7319 N.am 1 UNL1111111111 -0.3130 10 N 2.7868 0.4298 -0.3515 N.am 1 UNL1111111111 -0.2932 11 C -4.9586 0.3391 0.7194 C.3 1 UNL1111111111 -0.1367 12 C -4.6381 -1.5480 -0.7799 C.3 1 UNL1111111111 -0.1351 13 C 5.2464 0.4702 -0.4856 C.3 1 UNL1111111111 -0.1380 14 C 4.1446 -1.1125 1.0041 C.3 1 UNL1111111111 -0.1355 15 C -3.9569 1.1741 -0.1182 C.3 1 UNL1111111111 -0.1020 16 C -3.6368 -0.7113 -1.6101 C.3 1 UNL1111111111 -0.0985 17 C 3.9243 0.6445 -1.2696 C.3 1 UNL1111111111 -0.0995 18 C 2.8320 -0.9338 0.2034 C.3 1 UNL1111111111 -0.1055 19 C -6.7258 -1.3431 0.4974 C.3 1 UNL1111111111 -0.1375 20 C 6.5789 -1.1565 0.7652 C.3 1 UNL1111111111 -0.1411 21 C -1.6801 0.1716 -0.3876 C.2 1 UNL1111111111 0.1928 22 C 1.9724 1.4143 0.0277 C.2 1 UNL1111111111 0.1861 23 C -8.0222 -0.5563 0.2065 C.3 1 UNL1111111111 0.0045 24 C 7.5134 -1.8160 -0.2704 C.3 1 UNL1111111111 0.0052 25 H -5.7267 1.0154 1.1536 H 1 UNL1111111111 0.1513 26 H -4.4349 -0.1505 1.5682 H 1 UNL1111111111 0.1334 27 H -5.1690 -2.2540 -1.4563 H 1 UNL1111111111 0.1545 28 H -4.0973 -2.1574 -0.0247 H 1 UNL1111111111 0.1363 29 H 6.1032 0.5854 -1.1849 H 1 UNL1111111111 0.1506 30 H 5.3418 1.2686 0.2818 H 1 UNL1111111111 0.1346 31 H 4.1560 -0.4357 1.8836 H 1 UNL1111111111 0.1292 32 H 4.1927 -2.1564 1.3869 H 1 UNL1111111111 0.1527 33 H -3.5040 1.9664 0.5114 H 1 UNL1111111111 0.1646 34 H -4.5009 1.7034 -0.9400 H 1 UNL1111111111 0.1704 35 H -4.1742 -0.1484 -2.4103 H 1 UNL1111111111 0.1644 36 H -2.9125 -1.3811 -2.1273 H 1 UNL1111111111 0.1850 37 H 3.8945 1.6465 -1.7544 H 1 UNL1111111111 0.1828 38 H 3.8566 -0.1076 -2.0917 H 1 UNL1111111111 0.1669 39 H 2.8032 -1.6581 -0.6498 H 1 UNL1111111111 0.1757 40 H 1.9550 -1.1872 0.8345 H 1 UNL1111111111 0.1764 41 H -6.8398 -2.3768 0.1037 H 1 UNL1111111111 0.1550 42 H -6.5819 -1.4513 1.5923 H 1 UNL1111111111 0.1389 43 H 7.0579 -0.2468 1.1841 H 1 UNL1111111111 0.1393 44 H 6.4525 -1.8530 1.6227 H 1 UNL1111111111 0.1516 45 H -8.0150 0.4465 0.6640 H 1 UNL1111111111 0.1148 46 H -8.2107 -0.4748 -0.8773 H 1 UNL1111111111 0.1252 47 H 7.0905 -2.7589 -0.6565 H 1 UNL1111111111 0.1252 48 H 7.7548 -1.1406 -1.1073 H 1 UNL1111111111 0.1160 49 H -9.9187 -1.0039 0.5768 H 1 UNL1111111111 0.3162 50 H 9.3365 -2.5746 -0.0771 H 1 UNL1111111111 0.3155 @BOND 1 1 2 1 2 1 21 1 3 2 22 1 4 3 21 2 5 4 22 2 6 5 23 1 7 5 49 1 8 6 24 1 9 6 50 1 10 7 11 1 11 7 12 1 12 7 19 1 13 8 13 1 14 8 14 1 15 8 20 1 16 9 15 1 17 9 16 1 18 9 21 1 19 10 17 1 20 10 18 1 21 10 22 1 22 11 15 1 23 11 25 1 24 11 26 1 25 12 16 1 26 12 27 1 27 12 28 1 28 13 17 1 29 13 29 1 30 13 30 1 31 14 18 1 32 14 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 19 23 1 43 19 41 1 44 19 42 1 45 20 24 1 46 20 43 1 47 20 44 1 48 23 45 1 49 23 46 1 50 24 47 1 51 24 48 1