@MOLECULE (2s)-2,4-diamino-1-(1-piperidinyl)-1-butanone 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1078 0.9055 0.1700 C.2 1 UNL1111111111 0.4565 2 N 1.7691 1.6674 -1.2534 N.3 1 UNL1111111111 -0.9293 3 O -0.3238 2.0834 0.3842 O.2 1 UNL1111111111 -0.4012 4 C 1.1738 0.4976 -0.5833 C.3 1 UNL1111111111 -0.1637 5 C 2.1683 -0.1013 0.4247 C.3 1 UNL1111111111 -0.2244 6 N 4.3070 -1.2583 0.6976 N.3 1 UNL1111111111 -1.0080 7 C 3.3882 -0.6859 -0.3106 C.3 1 UNL1111111111 -0.0211 8 C -3.4300 -1.0113 -0.5367 C.3 1 UNL1111111111 -0.2844 9 C -3.3320 0.3765 0.1083 C.3 1 UNL1111111111 -0.2790 10 C -2.0575 -1.4731 -1.0436 C.3 1 UNL1111111111 -0.4326 11 C -2.2563 0.3863 1.2103 C.3 1 UNL1111111111 -0.3980 12 C -1.0244 -1.4138 0.0993 C.3 1 UNL1111111111 -0.2425 13 N -0.9533 -0.0679 0.6862 N.am 1 UNL1111111111 -0.4074 14 H 1.0919 2.1416 -1.8355 H 1 UNL1111111111 0.3695 15 H 2.1133 2.3402 -0.5796 H 1 UNL1111111111 0.3941 16 H 0.9252 -0.2466 -1.3842 H 1 UNL1111111111 0.2406 17 H 2.5128 0.6714 1.1442 H 1 UNL1111111111 0.1918 18 H 1.6811 -0.8742 1.0466 H 1 UNL1111111111 0.1417 19 H 3.9532 -2.1114 1.0932 H 1 UNL1111111111 0.3806 20 H 5.2234 -1.4248 0.3222 H 1 UNL1111111111 0.3838 21 H 3.0647 -1.4239 -1.0730 H 1 UNL1111111111 0.0941 22 H 3.9160 0.1310 -0.8562 H 1 UNL1111111111 0.1788 23 H -3.8299 -1.7414 0.1917 H 1 UNL1111111111 0.1818 24 H -4.1552 -0.9898 -1.3714 H 1 UNL1111111111 0.1384 25 H -3.0861 1.1380 -0.6572 H 1 UNL1111111111 0.1856 26 H -4.3065 0.6777 0.5321 H 1 UNL1111111111 0.1474 27 H -2.1197 -2.5011 -1.4426 H 1 UNL1111111111 0.1776 28 H -1.7309 -0.8354 -1.8858 H 1 UNL1111111111 0.2239 29 H -2.1458 1.4106 1.6383 H 1 UNL1111111111 0.2515 30 H -2.5428 -0.2866 2.0477 H 1 UNL1111111111 0.2464 31 H -1.3133 -2.1225 0.9115 H 1 UNL1111111111 0.2374 32 H -0.0251 -1.7420 -0.2535 H 1 UNL1111111111 0.1699 @BOND 1 1 13 am 2 2 4 1 3 2 14 1 4 2 15 1 5 3 1 2 6 4 1 1 7 4 5 1 8 4 16 1 9 5 7 1 10 5 17 1 11 5 18 1 12 6 19 1 13 6 20 1 14 7 6 1 15 7 21 1 16 7 22 1 17 8 23 1 18 8 24 1 19 9 8 1 20 9 25 1 21 9 26 1 22 10 8 1 23 10 27 1 24 10 28 1 25 11 9 1 26 11 29 1 27 11 30 1 28 12 10 1 29 12 31 1 30 12 32 1 31 13 11 1 32 13 12 1