@MOLECULE piperacetazine 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7911 0.9198 1.8557 S.3 1 UNL1111111111 0.1024 2 O 6.9990 0.0288 0.4430 O.3 1 UNL1111111111 -0.5468 3 O 2.6360 3.6191 -1.0159 O.2 1 UNL1111111111 -0.4441 4 N 0.7000 -1.8467 0.3217 N.3 1 UNL1111111111 -0.4354 5 N -2.0458 -0.0502 -1.0349 N.pl3 1 UNL1111111111 -0.4317 6 C 3.6137 -1.6479 0.4009 C.3 1 UNL1111111111 -0.0891 7 C 2.8580 -2.3614 -0.7341 C.3 1 UNL1111111111 -0.2867 8 C 2.6978 -0.5797 1.0170 C.3 1 UNL1111111111 -0.2879 9 C 1.5350 -2.9494 -0.2094 C.3 1 UNL1111111111 -0.1091 10 C 1.3669 -1.1992 1.4783 C.3 1 UNL1111111111 -0.1105 11 C 4.9007 -1.0183 -0.1536 C.3 1 UNL1111111111 -0.3466 12 C -0.6582 -2.3109 0.6898 C.3 1 UNL1111111111 -0.1202 13 C -1.5264 -2.4926 -0.5707 C.3 1 UNL1111111111 -0.3177 14 C 5.7637 -0.4217 0.9615 C.3 1 UNL1111111111 0.0066 15 C -1.4322 -1.3015 -1.5409 C.3 1 UNL1111111111 -0.0562 16 C -1.1594 0.8397 -0.3752 C.ar 1 UNL1111111111 0.1972 17 C -3.3960 -0.1609 -0.6227 C.ar 1 UNL1111111111 0.2101 18 C -1.3794 1.3694 0.9038 C.ar 1 UNL1111111111 -0.1613 19 C -3.8717 0.2865 0.6184 C.ar 1 UNL1111111111 -0.2017 20 C -0.0260 1.2573 -1.0984 C.ar 1 UNL1111111111 -0.1578 21 C -4.3137 -0.6921 -1.5494 C.ar 1 UNL1111111111 -0.2207 22 C -0.4719 2.2649 1.4666 C.ar 1 UNL1111111111 -0.1257 23 C 0.8861 2.1319 -0.5215 C.ar 1 UNL1111111111 -0.1202 24 C -5.2289 0.2163 0.9253 C.ar 1 UNL1111111111 -0.0897 25 C 0.6664 2.6392 0.7609 C.ar 1 UNL1111111111 -0.1306 26 C -5.6624 -0.7715 -1.2299 C.ar 1 UNL1111111111 -0.1006 27 C -6.1252 -0.3202 0.0060 C.ar 1 UNL1111111111 -0.1955 28 C 2.1132 2.5565 -1.2496 C.2 1 UNL1111111111 0.4930 29 C 2.6884 1.6114 -2.2629 C.3 1 UNL1111111111 -0.5486 30 H 3.8789 -2.3964 1.1843 H 1 UNL1111111111 0.1307 31 H 2.6420 -1.6487 -1.5524 H 1 UNL1111111111 0.1475 32 H 3.4758 -3.1647 -1.1699 H 1 UNL1111111111 0.1302 33 H 3.1897 -0.0841 1.8723 H 1 UNL1111111111 0.1379 34 H 2.4884 0.2164 0.2754 H 1 UNL1111111111 0.1561 35 H 0.9855 -3.4340 -1.0445 H 1 UNL1111111111 0.1319 36 H 1.7385 -3.7378 0.5456 H 1 UNL1111111111 0.1118 37 H 1.5388 -1.8995 2.3210 H 1 UNL1111111111 0.1114 38 H 0.6993 -0.3889 1.8519 H 1 UNL1111111111 0.1459 39 H 4.6604 -0.2317 -0.8951 H 1 UNL1111111111 0.1564 40 H 5.4811 -1.7783 -0.7083 H 1 UNL1111111111 0.1392 41 H -1.1307 -1.5411 1.3414 H 1 UNL1111111111 0.1522 42 H -0.6504 -3.2532 1.2771 H 1 UNL1111111111 0.1169 43 H -1.2240 -3.4112 -1.1082 H 1 UNL1111111111 0.1455 44 H -2.5775 -2.6532 -0.2611 H 1 UNL1111111111 0.1519 45 H 5.3287 0.5062 1.3805 H 1 UNL1111111111 0.1461 46 H 5.9548 -1.1415 1.7757 H 1 UNL1111111111 0.1109 47 H -1.9301 -1.5546 -2.5038 H 1 UNL1111111111 0.1388 48 H -0.3556 -1.1125 -1.7730 H 1 UNL1111111111 0.1742 49 H 7.4925 -0.7034 0.0290 H 1 UNL1111111111 0.3071 50 H 0.1267 0.8881 -2.1125 H 1 UNL1111111111 0.1692 51 H -3.9667 -1.0232 -2.5260 H 1 UNL1111111111 0.1660 52 H -0.6445 2.6842 2.4605 H 1 UNL1111111111 0.1680 53 H -5.6045 0.5772 1.8859 H 1 UNL1111111111 0.1629 54 H 1.3822 3.3405 1.1949 H 1 UNL1111111111 0.1755 55 H -6.3652 -1.1835 -1.9538 H 1 UNL1111111111 0.1515 56 H -7.1831 -0.3825 0.2485 H 1 UNL1111111111 0.1561 57 H 2.1787 1.7222 -3.2306 H 1 UNL1111111111 0.1786 58 H 2.5993 0.5609 -1.9545 H 1 UNL1111111111 0.1740 59 H 3.7547 1.8227 -2.4365 H 1 UNL1111111111 0.1806 @BOND 1 1 18 1 2 1 19 1 3 2 14 1 4 2 49 1 5 3 28 2 6 4 9 1 7 4 10 1 8 4 12 1 9 5 15 1 10 5 16 1 11 5 17 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 30 1 16 7 9 1 17 7 31 1 18 7 32 1 19 8 10 1 20 8 33 1 21 8 34 1 22 9 35 1 23 9 36 1 24 10 37 1 25 10 38 1 26 11 14 1 27 11 39 1 28 11 40 1 29 12 13 1 30 12 41 1 31 12 42 1 32 13 15 1 33 13 43 1 34 13 44 1 35 14 45 1 36 14 46 1 37 15 47 1 38 15 48 1 39 16 18 ar 40 16 20 ar 41 17 19 ar 42 17 21 ar 43 18 22 ar 44 19 24 ar 45 20 23 ar 46 20 50 1 47 21 26 ar 48 21 51 1 49 22 25 ar 50 22 52 1 51 23 25 ar 52 23 28 1 53 24 27 ar 54 24 53 1 55 25 54 1 56 26 27 ar 57 26 55 1 58 27 56 1 59 28 29 1 60 29 57 1 61 29 58 1 62 29 59 1