@MOLECULE 1-hydroxy-6-(2-hydroxy-2-butanyl)-3-isobutyl-2(1h)-pyrazinone 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1883 1.6028 -0.5054 O.3 1 UNL11111111111 -0.5496 2 O -1.1750 -2.0333 -0.4306 O.3 1 UNL11111111111 -0.2675 3 O 1.3785 -2.0338 0.2823 O.2 1 UNL11111111111 -0.5129 4 N -0.5101 -0.8644 -0.0793 N.ar 1 UNL11111111111 -0.2102 5 N 0.7220 1.4839 0.5820 N.ar 1 UNL11111111111 -0.2798 6 C -2.7279 0.2645 -0.5113 C.3 1 UNL11111111111 0.3264 7 C -1.2582 0.2810 -0.1112 C.ar 1 UNL11111111111 0.0882 8 C -3.5922 -0.4455 0.5452 C.3 1 UNL11111111111 -0.2727 9 C 3.7568 0.0317 -0.2813 C.3 1 UNL11111111111 -0.0525 10 C 2.8818 0.4132 0.9335 C.3 1 UNL11111111111 -0.2764 11 C -2.9080 -0.3224 -1.9114 C.3 1 UNL11111111111 -0.5092 12 C 1.4280 0.3800 0.5909 C.ar 1 UNL11111111111 0.0486 13 C -0.6030 1.4488 0.2472 C.ar 1 UNL11111111111 -0.1420 14 C 0.8573 -0.9372 0.2748 C.ar 1 UNL11111111111 0.4762 15 C -3.4233 0.1776 1.9277 C.3 1 UNL11111111111 -0.4315 16 C 3.6214 1.0741 -1.3945 C.3 1 UNL11111111111 -0.4542 17 C 5.2188 -0.0820 0.1653 C.3 1 UNL11111111111 -0.4509 18 H -3.3383 -1.5227 0.5718 H 1 UNL11111111111 0.1545 19 H -4.6551 -0.3799 0.2340 H 1 UNL11111111111 0.1571 20 H 3.4206 -0.9639 -0.6664 H 1 UNL11111111111 0.1482 21 H 3.0839 -0.2874 1.7724 H 1 UNL11111111111 0.1638 22 H 3.1670 1.4229 1.3010 H 1 UNL11111111111 0.1720 23 H -2.7929 -1.4140 -1.9197 H 1 UNL11111111111 0.1761 24 H -2.1835 0.0825 -2.6270 H 1 UNL11111111111 0.1589 25 H -3.9144 -0.1034 -2.2932 H 1 UNL11111111111 0.1682 26 H -1.1258 2.4101 0.2940 H 1 UNL11111111111 0.2065 27 H -3.6204 1.2590 1.8993 H 1 UNL11111111111 0.1631 28 H -4.1175 -0.2651 2.6504 H 1 UNL11111111111 0.1437 29 H -2.4083 0.0420 2.3179 H 1 UNL11111111111 0.1457 30 H 4.2278 0.8063 -2.2657 H 1 UNL11111111111 0.1422 31 H 3.9419 2.0665 -1.0579 H 1 UNL11111111111 0.1484 32 H 2.5828 1.1697 -1.7294 H 1 UNL11111111111 0.1439 33 H 5.3426 -0.8558 0.9317 H 1 UNL11111111111 0.1450 34 H 5.8667 -0.3500 -0.6766 H 1 UNL11111111111 0.1440 35 H 5.5896 0.8617 0.5784 H 1 UNL11111111111 0.1431 36 H -2.8920 2.0881 -1.3024 H 1 UNL11111111111 0.3192 37 H -0.4880 -2.7755 -0.2830 H 1 UNL11111111111 0.3265 @BOND 1 1 6 1 2 1 36 1 3 2 4 1 4 2 37 1 5 3 14 2 6 4 7 ar 7 4 14 ar 8 5 12 ar 9 5 13 ar 10 6 7 1 11 6 8 1 12 6 11 1 13 7 13 ar 14 8 15 1 15 8 18 1 16 8 19 1 17 9 10 1 18 9 16 1 19 9 17 1 20 9 20 1 21 10 12 1 22 10 21 1 23 10 22 1 24 11 23 1 25 11 24 1 26 11 25 1 27 12 14 ar 28 13 26 1 29 15 27 1 30 15 28 1 31 15 29 1 32 16 30 1 33 16 31 1 34 16 32 1 35 17 33 1 36 17 34 1 37 17 35 1