HMDB0015559 RDKit 3D Thioproperazine 60 63 0 0 0 0 0 0 0 0999 V2000 5.2770 -3.0171 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 -1.9186 -0.1191 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 -0.9755 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -0.7642 1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 -0.3330 0.9927 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 1.0893 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 1.6756 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0965 1.5312 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 2.1213 -0.0369 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 3.5520 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 4.2941 0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 5.6909 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 6.3766 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 5.6264 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 4.2687 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 3.4733 -1.5838 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2209 1.7006 -1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0558 0.8426 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.5039 -2.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 -1.0113 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -2.7399 -1.3042 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.9095 -3.4109 -2.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 -2.9550 -1.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3148 -3.3567 0.0498 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -2.7535 1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -4.7838 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.1058 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 1.2854 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -1.0666 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -2.3306 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2578 -2.7060 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 -3.3284 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8722 -3.8903 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 -1.4392 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -0.0138 0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 0.0446 2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -1.6492 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 1.5638 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2264 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.0438 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 2.6877 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 0.5111 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 2.0553 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 3.8694 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 6.2344 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 7.4539 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 6.2113 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 1.2543 -2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 -1.2086 -2.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -3.4569 2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -2.4312 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 -1.8694 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -5.1309 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2632 -5.1880 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 -5.2131 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 -0.5417 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -0.4386 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 -1.2673 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 -2.8954 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 -2.9896 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 24 25 1 0 24 26 1 0 20 27 1 0 27 28 2 0 5 29 1 0 29 30 1 0 30 2 1 0 28 9 1 0 15 10 1 0 28 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 18 48 1 0 19 49 1 0 25 50 1 0 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 26 55 1 0 27 56 1 0 29 57 1 0 29 58 1 0 30 59 1 0 30 60 1 0 M END