@MOLECULE (5e)-6-(2-methyl-2-propanyl)-4-oxa-8-thia-2,5-diazanon-5-en-3-one 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2121 1.8602 0.0203 S.3 1 UNL1111 0.0970 2 O 1.3706 -0.2347 -0.0178 O.3 1 UNL1111 -0.2719 3 O 2.1604 1.9676 -0.1031 O.2 1 UNL1111 -0.4594 4 N 0.0950 0.3229 -0.0087 N.2 1 UNL1111 -0.1569 5 N 3.5523 0.1430 0.1128 N.am 1 UNL1111 -0.6056 6 C -0.7000 -2.0740 -0.0079 C.3 1 UNL1111 0.0978 7 C -0.8524 -0.5562 -0.0057 C.2 1 UNL1111 0.1060 8 C 0.0683 -2.4861 1.2575 C.3 1 UNL1111 -0.4581 9 C -2.0544 -2.8012 -0.0086 C.3 1 UNL1111 -0.4631 10 C 0.0687 -2.4860 -1.2731 C.3 1 UNL1111 -0.4580 11 C -2.2399 0.0135 0.0001 C.3 1 UNL1111 -0.3534 12 C -4.0069 2.1844 0.0208 C.3 1 UNL1111 -0.5160 13 C 2.3363 0.7839 -0.0177 C.2 1 UNL1111 0.6932 14 C 4.7794 0.9334 0.0137 C.3 1 UNL1111 -0.2086 15 H 0.1537 -3.5755 1.3310 H 1 UNL1111 0.1506 16 H 1.0861 -2.0805 1.2734 H 1 UNL1111 0.1571 17 H -0.4349 -2.1295 2.1634 H 1 UNL1111 0.1522 18 H -2.6512 -2.5557 -0.8929 H 1 UNL1111 0.1471 19 H -2.6458 -2.5686 0.8829 H 1 UNL1111 0.1471 20 H -1.9086 -3.8891 -0.0169 H 1 UNL1111 0.1546 21 H 0.1574 -3.5754 -1.3442 H 1 UNL1111 0.1507 22 H -0.4363 -2.1333 -2.1795 H 1 UNL1111 0.1522 23 H 1.0854 -2.0782 -1.2908 H 1 UNL1111 0.1566 24 H -2.7908 -0.3287 -0.8983 H 1 UNL1111 0.1705 25 H -2.7933 -0.3490 0.8886 H 1 UNL1111 0.1703 26 H -4.5012 1.7769 0.9062 H 1 UNL1111 0.1549 27 H -4.4997 1.7892 -0.8709 H 1 UNL1111 0.1550 28 H -4.1478 3.2725 0.0284 H 1 UNL1111 0.1701 29 H 3.6360 -0.8560 0.1136 H 1 UNL1111 0.3160 30 H 5.2938 0.7550 -0.9464 H 1 UNL1111 0.1355 31 H 5.4599 0.6720 0.8430 H 1 UNL1111 0.1417 32 H 4.5600 2.0180 0.0851 H 1 UNL1111 0.1746 @BOND 1 1 11 1 2 1 12 1 3 2 4 1 4 2 13 1 5 3 13 2 6 4 7 2 7 5 13 am 8 5 14 1 9 5 29 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 10 1 14 7 11 1 15 8 15 1 16 8 16 1 17 8 17 1 18 9 18 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 14 30 1 30 14 31 1 31 14 32 1