@MOLECULE [(2R,3S)-3,6-dimethyl-3H-1,2,4,5-tetrazin-2-yl]methanol 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 N1 0.6966 -0.2159 0.5792 N.pl3 1 DUDM111111111 -0.3455 2 N2 -0.4593 -0.9273 0.6070 N.2 1 DUDM111111111 -0.1966 3 C3 -1.5513 -0.4209 0.1005 C.2 1 DUDM111111111 0.0976 4 N4 -1.5276 0.7348 -0.7669 N.2 1 DUDM111111111 -0.1078 5 N5 -0.4912 1.3678 -0.9338 N.2 1 DUDM111111111 -0.1175 6 C6 0.7568 1.0747 -0.1810 C.3 1 DUDM111111111 0.0702 7 C7 1.8763 -1.0924 0.4356 C.3 1 DUDM111111111 0.1843 8 C8 -2.8737 -1.0636 0.2968 C.3 1 DUDM111111111 -0.4105 9 C9 0.9711 2.2003 0.8378 C.3 1 DUDM111111111 -0.4485 10 O10 2.1154 -1.3811 -0.9144 O.3 1 DUDM111111111 -0.5738 11 H71 2.7809 -0.5234 0.7488 H 1 DUDM111111111 0.1581 12 H72 1.7415 -2.0229 1.0282 H 1 DUDM111111111 0.1491 13 H81 -3.3949 -1.2080 -0.6648 H 1 DUDM111111111 0.1787 14 H82 -2.7889 -2.0464 0.7879 H 1 DUDM111111111 0.1741 15 H83 -3.5262 -0.4333 0.9248 H 1 DUDM111111111 0.1742 16 H91 1.9271 2.0812 1.3610 H 1 DUDM111111111 0.1619 17 H92 0.9706 3.1799 0.3402 H 1 DUDM111111111 0.1699 18 H93 0.1840 2.2144 1.6033 H 1 DUDM111111111 0.1650 19 H10 1.4747 -2.0257 -1.2778 H 1 DUDM111111111 0.3341 20 H1 1.5901 1.0548 -0.9402 H 1 DUDM111111111 0.1829 @BOND 1 1 7 1 2 1 6 1 3 1 2 1 4 2 3 2 5 3 8 1 6 3 4 1 7 4 5 2 8 5 6 1 9 6 20 1 10 6 9 1 11 7 12 1 12 7 11 1 13 7 10 1 14 8 15 1 15 8 14 1 16 8 13 1 17 9 18 1 18 9 17 1 19 9 16 1 20 10 19 1