@MOLECULE 2,6-dimethyl-n-[(1s)-1-phenylethyl]-5-propionylnicotinamide 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7768 1.3518 1.6561 O.2 1 UNL1111111111 -0.5088 2 O 5.1210 -0.1193 -1.1420 O.2 1 UNL1111111111 -0.4477 3 N -1.3219 1.0818 -0.5289 N.am 1 UNL1111111111 -0.6116 4 N 1.6249 -2.1800 0.0948 N.ar 1 UNL1111111111 -0.4488 5 C -2.6384 1.7193 -0.3661 C.3 1 UNL1111111111 0.1060 6 C -3.6887 0.6381 -0.1991 C.ar 1 UNL1111111111 -0.0487 7 C 0.6676 0.0128 0.3146 C.ar 1 UNL1111111111 -0.2984 8 C 3.0213 -0.2225 -0.1022 C.ar 1 UNL1111111111 -0.3201 9 C -0.5198 0.8638 0.5766 C.2 1 UNL1111111111 0.6043 10 C -2.9400 2.6051 -1.5809 C.3 1 UNL1111111111 -0.4679 11 C 1.9143 0.5942 0.1196 C.ar 1 UNL1111111111 0.0136 12 C 0.5543 -1.3920 0.3145 C.ar 1 UNL1111111111 0.3106 13 C 2.8365 -1.6217 -0.1206 C.ar 1 UNL1111111111 0.3268 14 C -4.3559 0.5242 1.0208 C.ar 1 UNL1111111111 -0.1492 15 C -3.9653 -0.2623 -1.2286 C.ar 1 UNL1111111111 -0.1633 16 C 4.3640 0.3592 -0.3339 C.2 1 UNL1111111111 0.4923 17 C 4.7333 1.5654 0.4950 C.3 1 UNL1111111111 -0.3543 18 C -0.7452 -2.0740 0.5645 C.3 1 UNL1111111111 -0.4721 19 C 3.9570 -2.5685 -0.3692 C.3 1 UNL1111111111 -0.4641 20 C -5.2998 -0.4834 1.2081 C.ar 1 UNL1111111111 -0.1420 21 C -4.9077 -1.2704 -1.0386 C.ar 1 UNL1111111111 -0.1467 22 C -5.5764 -1.3818 0.1793 C.ar 1 UNL1111111111 -0.1509 23 C 6.2474 1.7350 0.5554 C.3 1 UNL1111111111 -0.4167 24 H -2.5983 2.3670 0.5587 H 1 UNL1111111111 0.1754 25 H -1.1374 0.6248 -1.4059 H 1 UNL1111111111 0.3116 26 H -3.9274 3.0724 -1.4807 H 1 UNL1111111111 0.1585 27 H -2.1981 3.4084 -1.6748 H 1 UNL1111111111 0.1611 28 H -2.9396 2.0432 -2.5206 H 1 UNL1111111111 0.1502 29 H 2.0158 1.6826 0.1371 H 1 UNL1111111111 0.1657 30 H -4.1313 1.2142 1.8346 H 1 UNL1111111111 0.1615 31 H -3.4499 -0.1800 -2.1827 H 1 UNL1111111111 0.1476 32 H 4.2658 2.4695 0.0512 H 1 UNL1111111111 0.1667 33 H 4.3148 1.4776 1.5185 H 1 UNL1111111111 0.1669 34 H -1.5344 -1.7346 -0.1230 H 1 UNL1111111111 0.1722 35 H -0.6667 -3.1699 0.4597 H 1 UNL1111111111 0.1878 36 H -1.1052 -1.8732 1.5887 H 1 UNL1111111111 0.1844 37 H 3.6420 -3.6216 -0.2868 H 1 UNL1111111111 0.1799 38 H 4.3734 -2.4252 -1.3837 H 1 UNL1111111111 0.1923 39 H 4.7901 -2.4115 0.3321 H 1 UNL1111111111 0.1734 40 H -5.8182 -0.5703 2.1612 H 1 UNL1111111111 0.1517 41 H -5.1226 -1.9712 -1.8427 H 1 UNL1111111111 0.1491 42 H -6.3119 -2.1697 0.3264 H 1 UNL1111111111 0.1495 43 H 6.6814 1.7928 -0.4539 H 1 UNL1111111111 0.1609 44 H 6.5297 2.6446 1.0957 H 1 UNL1111111111 0.1418 45 H 6.7277 0.8845 1.0550 H 1 UNL1111111111 0.1494 @BOND 1 1 9 2 2 2 16 2 3 3 5 1 4 3 9 am 5 3 25 1 6 4 12 ar 7 4 13 ar 8 5 6 1 9 5 10 1 10 5 24 1 11 6 14 ar 12 6 15 ar 13 7 9 1 14 7 11 ar 15 7 12 ar 16 8 11 ar 17 8 13 ar 18 8 16 1 19 10 26 1 20 10 27 1 21 10 28 1 22 11 29 1 23 12 18 1 24 13 19 1 25 14 20 ar 26 14 30 1 27 15 21 ar 28 15 31 1 29 16 17 1 30 17 23 1 31 17 32 1 32 17 33 1 33 18 34 1 34 18 35 1 35 18 36 1 36 19 37 1 37 19 38 1 38 19 39 1 39 20 22 ar 40 20 40 1 41 21 22 ar 42 21 41 1 43 22 42 1 44 23 43 1 45 23 44 1 46 23 45 1