@MOLECULE N-(2-hydroxyethyl)-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide 32 33 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 0.6502 1.6454 -0.2268 O.3 1 GEYW111111111 -0.4252 2 O2 -2.8345 -2.3144 0.3248 O.3 1 GEYW111111111 -0.2893 3 O3 2.0852 -1.8642 -0.9262 O.2 1 GEYW111111111 -0.9527 4 O4 4.7312 1.9599 0.5415 O.3 1 GEYW111111111 -0.5701 5 N1 -0.1536 0.6899 -0.1428 N.ar 1 GEYW111111111 0.0235 6 N2 -1.9875 -1.4089 0.1600 N.ar 1 GEYW111111111 -0.2259 7 N3 2.5952 -0.1415 0.4607 N.am 1 GEYW111111111 -0.9266 8 C1 0.2608 -0.5910 -0.0933 C.ar 1 GEYW111111111 -0.7697 9 C2 -0.6615 -1.6647 0.0710 C.ar 1 GEYW111111111 0.6181 10 C3 -2.4517 -0.0795 0.0682 C.ar 1 GEYW111111111 0.2648 11 C4 -1.5318 0.9759 -0.0880 C.ar 1 GEYW111111111 0.4431 12 C5 -1.9952 2.3098 -0.1847 C.ar 1 GEYW111111111 -0.2109 13 C6 -3.3472 2.5620 -0.1274 C.ar 1 GEYW111111111 -0.1653 14 C7 -4.2711 1.5050 0.0313 C.ar 1 GEYW111111111 -0.1328 15 C8 -3.8371 0.2031 0.1286 C.ar 1 GEYW111111111 -0.1453 16 C9 1.7219 -0.9190 -0.2574 C.2 1 GEYW111111111 1.5252 17 C10 4.0405 -0.3498 0.3536 C.3 1 GEYW111111111 -0.1676 18 C11 4.7378 0.8458 -0.3263 C.3 1 GEYW111111111 -0.3463 19 C12 -0.1956 -3.0717 0.1515 C.3 1 GEYW111111111 -0.8860 20 H1 3.8410 2.3683 0.5554 H 1 GEYW111111111 0.4451 21 H2 2.2838 0.7226 0.8844 H 1 GEYW111111111 0.5248 22 H3 -1.2616 3.1133 -0.3106 H 1 GEYW111111111 0.1897 23 H4 -3.7193 3.5849 -0.2012 H 1 GEYW111111111 0.1497 24 H5 -5.3376 1.7343 0.0738 H 1 GEYW111111111 0.1488 25 H6 -4.5362 -0.6328 0.2511 H 1 GEYW111111111 0.1356 26 H7 4.4505 -0.4799 1.3828 H 1 GEYW111111111 0.1807 27 H8 4.2605 -1.2904 -0.2057 H 1 GEYW111111111 0.2940 28 H9 4.2769 1.1077 -1.2944 H 1 GEYW111111111 0.2595 29 H10 5.8173 0.6431 -0.4714 H 1 GEYW111111111 0.1703 30 H11 0.5168 -3.2211 0.9777 H 1 GEYW111111111 0.2150 31 H12 0.3294 -3.3733 -0.7764 H 1 GEYW111111111 0.3801 32 H13 -1.0251 -3.7874 0.2990 H 1 GEYW111111111 0.2455 @BOND 1 1 5 1 2 2 6 1 3 3 16 2 4 4 20 1 5 4 18 1 6 5 11 ar 7 5 8 ar 8 6 10 ar 9 6 9 ar 10 7 21 1 11 7 17 1 12 7 16 am 13 8 16 1 14 8 9 ar 15 9 19 1 16 10 15 ar 17 10 11 ar 18 11 12 ar 19 12 22 1 20 12 13 ar 21 13 23 1 22 13 14 ar 23 14 24 1 24 14 15 ar 25 15 25 1 26 17 27 1 27 17 26 1 28 17 18 1 29 18 29 1 30 18 28 1 31 19 32 1 32 19 31 1 33 19 30 1