C13H22N4O3S APtclcactv04192402223D 0 0.00000 0.00000 43 43 0 0 0 0 0 0 0 0999 V2000 3.2377 1.5139 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 1.5938 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 0.1651 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3107 -0.1196 0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0254 -0.0739 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -0.1623 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 0.3084 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 -1.9533 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 -0.7973 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6878 2.7580 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7001 2.2558 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 0.5065 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7115 0.3825 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4859 -2.0819 -0.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7252 0.5168 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 -0.2598 -0.5956 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3492 -2.2050 1.1429 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9076 -0.6442 0.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 1.8766 -0.2483 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9492 -1.5357 0.2072 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2061 0.5413 -0.4079 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 -0.2236 -0.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 2.2228 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 2.3776 0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 -0.3998 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 1.0835 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -1.2088 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 0.2093 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2083 0.2389 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8397 0.2736 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 0.1677 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 -1.2504 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 1.3966 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -0.0216 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -2.4878 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 -2.5320 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 -1.8115 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7091 0.1849 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 -1.4005 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 -1.2899 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5336 2.5130 -0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9725 2.6218 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 3.7951 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 4 21 1 0 0 0 0 6 21 1 0 0 0 0 12 22 1 0 0 0 0 13 22 1 0 0 0 0 17 20 1 0 0 0 0 14 20 2 0 0 0 0 3 18 1 0 0 0 0 8 18 1 0 0 0 0 9 18 1 0 0 0 0 15 16 2 0 0 0 0 7 16 1 0 0 0 0 5 20 1 0 0 0 0 15 19 1 0 0 0 0 10 19 1 0 0 0 0 2 12 2 0 0 0 0 3 12 1 0 0 0 0 1 13 2 0 0 0 0 4 13 1 0 0 0 0 1 2 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 19 1 0 0 0 0 M CHG 2 17 -1 20 1 M END $$$$