@MOLECULE (2s)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3112 0.6974 0.5701 O.2 1 UNL1111111111 -0.3097 2 O -2.9580 0.7567 -0.1810 O.2 1 UNL1111111111 -0.3176 3 N -1.1128 -0.4336 0.5154 N.2 1 UNL1111111111 -0.5276 4 N 0.5173 1.7254 -0.4378 N.2 1 UNL1111111111 -0.5110 5 C 0.7305 -1.7384 -0.4725 C.3 1 UNL1111111111 -0.0666 6 C 0.3362 -0.6105 0.5272 C.3 1 UNL1111111111 0.0031 7 C 1.0284 0.6998 0.1538 C.2 1 UNL1111111111 0.3266 8 C 2.2498 -1.9036 -0.5220 C.3 1 UNL1111111111 -0.4580 9 C 0.0739 -3.0532 -0.0425 C.3 1 UNL1111111111 -0.4436 10 C -0.8888 1.6960 -0.8111 C.3 1 UNL1111111111 -0.1417 11 C -1.6238 0.5693 -0.1107 C.2 1 UNL1111111111 0.3433 12 C 3.0745 1.8770 0.3046 C.3 1 UNL1111111111 -0.1860 13 C -3.7746 -0.2241 0.4647 C.3 1 UNL1111111111 -0.1791 14 H 0.3552 -1.4588 -1.4861 H 1 UNL1111111111 0.1376 15 H 0.6248 -0.9144 1.5706 H 1 UNL1111111111 0.1830 16 H 2.6794 -2.0102 0.4810 H 1 UNL1111111111 0.1535 17 H 2.5305 -2.7931 -1.0976 H 1 UNL1111111111 0.1497 18 H 2.7391 -1.0430 -0.9940 H 1 UNL1111111111 0.1530 19 H 0.4495 -3.3937 0.9285 H 1 UNL1111111111 0.1481 20 H 0.2602 -3.8471 -0.7727 H 1 UNL1111111111 0.1430 21 H -1.0146 -2.9375 0.0559 H 1 UNL1111111111 0.1624 22 H -0.9821 1.5979 -1.9196 H 1 UNL1111111111 0.1780 23 H -1.3333 2.6887 -0.5474 H 1 UNL1111111111 0.1884 24 H 2.6262 2.7432 0.8036 H 1 UNL1111111111 0.1478 25 H 3.1391 2.0562 -0.7739 H 1 UNL1111111111 0.1449 26 H 4.0495 1.6223 0.7339 H 1 UNL1111111111 0.1437 27 H -3.5947 -1.2165 0.0370 H 1 UNL1111111111 0.1446 28 H -4.7853 0.1360 0.2444 H 1 UNL1111111111 0.1437 29 H -3.5728 -0.2361 1.5415 H 1 UNL1111111111 0.1467 @BOND 1 1 7 1 2 1 12 1 3 2 11 1 4 2 13 1 5 3 6 1 6 3 11 2 7 4 7 2 8 4 10 1 9 5 6 1 10 5 8 1 11 5 9 1 12 5 14 1 13 6 7 1 14 6 15 1 15 8 16 1 16 8 17 1 17 8 18 1 18 9 19 1 19 9 20 1 20 9 21 1 21 10 11 1 22 10 22 1 23 10 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1