@MOLECULE 1-acetyl-n-[3-methyl-1-(methylamino)-1-oxo-2-buten-2-yl]-l-prolinamide 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3382 0.6842 0.7083 O.2 1 UNL111111111 -0.4988 2 O 2.0427 0.4378 -2.1717 O.2 1 UNL111111111 -0.5463 3 O -2.6564 0.8455 1.7419 O.2 1 UNL111111111 -0.5232 4 N 2.8385 -0.2793 -0.2053 N.am 1 UNL111111111 -0.5038 5 N -0.7520 -1.0433 -0.2809 N.am 1 UNL111111111 -0.5500 6 N -1.9723 1.9058 -0.1570 N.am 1 UNL111111111 -0.5510 7 C 1.7004 -1.1853 -0.0408 C.3 1 UNL111111111 0.0232 8 C 2.0099 -1.9831 1.2427 C.3 1 UNL111111111 -0.2765 9 C 2.9540 -1.0827 2.0632 C.3 1 UNL111111111 -0.2750 10 C 3.5388 -0.0529 1.0706 C.3 1 UNL111111111 -0.0529 11 C 0.3917 -0.3950 0.1669 C.2 1 UNL111111111 0.5442 12 C 2.8680 0.5834 -1.2907 C.2 1 UNL111111111 0.6136 13 C 3.9851 1.5779 -1.3573 C.3 1 UNL111111111 -0.5207 14 C -2.0534 -0.5173 -0.1291 C.2 1 UNL111111111 0.0046 15 C -3.1555 -1.1334 -0.6074 C.2 1 UNL111111111 0.0146 16 C -2.1984 0.7867 0.6207 C.2 1 UNL111111111 0.6036 17 C -3.1561 -2.4294 -1.3468 C.3 1 UNL111111111 -0.4384 18 C -4.5196 -0.5533 -0.4334 C.3 1 UNL111111111 -0.4498 19 C -2.0917 3.2359 0.4440 C.3 1 UNL111111111 -0.2296 20 H 1.6330 -1.8358 -0.9501 H 1 UNL111111111 0.1666 21 H 2.4965 -2.9417 0.9919 H 1 UNL111111111 0.1498 22 H 1.0962 -2.2326 1.8072 H 1 UNL111111111 0.1602 23 H 2.4007 -0.5719 2.8724 H 1 UNL111111111 0.1590 24 H 3.7494 -1.6693 2.5473 H 1 UNL111111111 0.1421 25 H 3.3850 0.9843 1.4365 H 1 UNL111111111 0.1408 26 H 4.6268 -0.2069 0.9141 H 1 UNL111111111 0.1332 27 H -0.6754 -1.9188 -0.7875 H 1 UNL111111111 0.3142 28 H 3.9852 2.0827 -2.3386 H 1 UNL111111111 0.1885 29 H 4.9671 1.1058 -1.2291 H 1 UNL111111111 0.1719 30 H 3.8759 2.3573 -0.5903 H 1 UNL111111111 0.1769 31 H -3.7790 -3.1703 -0.8204 H 1 UNL111111111 0.1595 32 H -3.5943 -2.3075 -2.3503 H 1 UNL111111111 0.1606 33 H -2.1721 -2.8876 -1.4854 H 1 UNL111111111 0.1390 34 H -4.5437 0.3401 0.2094 H 1 UNL111111111 0.1749 35 H -5.2006 -1.2783 0.0367 H 1 UNL111111111 0.1584 36 H -4.9543 -0.2589 -1.3990 H 1 UNL111111111 0.1571 37 H -1.3588 1.8304 -0.9562 H 1 UNL111111111 0.3124 38 H -1.1084 3.7136 0.5839 H 1 UNL111111111 0.1367 39 H -2.5780 3.1801 1.4365 H 1 UNL111111111 0.1713 40 H -2.7216 3.8662 -0.2082 H 1 UNL111111111 0.1391 @BOND 1 1 11 2 2 2 12 2 3 3 16 2 4 4 7 1 5 4 10 1 6 4 12 am 7 5 11 am 8 5 14 1 9 5 27 1 10 6 16 am 11 6 19 1 12 6 37 1 13 7 8 1 14 7 11 1 15 7 20 1 16 8 9 1 17 8 21 1 18 8 22 1 19 9 10 1 20 9 23 1 21 9 24 1 22 10 25 1 23 10 26 1 24 12 13 1 25 13 28 1 26 13 29 1 27 13 30 1 28 14 15 2 29 14 16 1 30 15 17 1 31 15 18 1 32 17 31 1 33 17 32 1 34 17 33 1 35 18 34 1 36 18 35 1 37 18 36 1 38 19 38 1 39 19 39 1 40 19 40 1