@MOLECULE 6-{[2-({2-[(2s)-2-cyano-1-pyrrolidinyl]-2-oxoethyl}amino)ethyl]amino}nicotinonitrile 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8792 1.2366 1.5442 O.2 1 UNL111111111 -0.5196 2 N 4.2230 -0.2207 0.4973 N.am 1 UNL111111111 -0.5140 3 N 0.7350 -0.3173 0.4473 N.3 1 UNL111111111 -0.5296 4 N -2.4678 -1.8816 -0.5841 N.pl3 1 UNL111111111 -0.5045 5 N 4.4759 2.6541 -1.3895 N.1 1 UNL111111111 -0.2232 6 N -4.6943 -1.5748 -0.1047 N.ar 1 UNL111111111 -0.4968 7 N -7.8254 2.0295 0.2384 N.1 1 UNL111111111 -0.2584 8 C 5.2583 0.8109 0.2991 C.3 1 UNL111111111 0.1234 9 C 6.4629 0.0350 -0.2871 C.3 1 UNL111111111 -0.2802 10 C 5.8422 -1.1706 -1.0142 C.3 1 UNL111111111 -0.2820 11 C 4.4631 -1.3980 -0.3565 C.3 1 UNL111111111 -0.0613 12 C 3.0139 0.1296 1.0620 C.2 1 UNL111111111 0.5671 13 C 1.8964 -0.9030 1.1498 C.3 1 UNL111111111 -0.1862 14 C 4.8174 1.8425 -0.6418 C.1 1 UNL111111111 0.0669 15 C -0.5212 -1.0410 0.7211 C.3 1 UNL111111111 -0.1385 16 C -1.0738 -1.4587 -0.6721 C.3 1 UNL111111111 -0.0750 17 C -3.4850 -0.9840 -0.3936 C.ar 1 UNL111111111 0.4251 18 C -3.3453 0.4233 -0.5188 C.ar 1 UNL111111111 -0.3744 19 C -4.4705 1.2106 -0.3617 C.ar 1 UNL111111111 0.0402 20 C -5.7074 0.6107 -0.0770 C.ar 1 UNL111111111 -0.2528 21 C -5.7650 -0.7941 0.0398 C.ar 1 UNL111111111 0.1750 22 C -6.8704 1.3897 0.0951 C.1 1 UNL111111111 0.1420 23 H 5.4930 1.2853 1.2967 H 1 UNL111111111 0.1894 24 H 7.0705 0.6585 -0.9635 H 1 UNL111111111 0.1610 25 H 7.1363 -0.2948 0.5243 H 1 UNL111111111 0.1587 26 H 6.4811 -2.0645 -0.9335 H 1 UNL111111111 0.1514 27 H 5.7315 -0.9636 -2.0937 H 1 UNL111111111 0.1531 28 H 4.4650 -2.3100 0.2783 H 1 UNL111111111 0.1416 29 H 3.6644 -1.5091 -1.1208 H 1 UNL111111111 0.1446 30 H 2.1478 -1.8684 0.6634 H 1 UNL111111111 0.1566 31 H 1.7125 -1.1183 2.2291 H 1 UNL111111111 0.1546 32 H 0.6501 0.6808 0.6668 H 1 UNL111111111 0.2867 33 H -0.3800 -1.9355 1.3581 H 1 UNL111111111 0.1365 34 H -1.2610 -0.3989 1.2471 H 1 UNL111111111 0.1437 35 H -0.9654 -0.6121 -1.3925 H 1 UNL111111111 0.1713 36 H -0.4674 -2.2906 -1.0929 H 1 UNL111111111 0.1517 37 H -2.6554 -2.8619 -0.4096 H 1 UNL111111111 0.3236 38 H -2.3815 0.8672 -0.7440 H 1 UNL111111111 0.1848 39 H -4.4032 2.2981 -0.4557 H 1 UNL111111111 0.1668 40 H -6.7095 -1.3122 0.2644 H 1 UNL111111111 0.1807 @BOND 1 1 12 2 2 2 8 1 3 2 11 1 4 2 12 am 5 3 13 1 6 3 15 1 7 3 32 1 8 4 16 1 9 4 17 1 10 4 37 1 11 5 14 3 12 6 17 ar 13 6 21 ar 14 7 22 3 15 8 9 1 16 8 14 1 17 8 23 1 18 9 10 1 19 9 24 1 20 9 25 1 21 10 11 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 12 13 1 27 13 30 1 28 13 31 1 29 15 16 1 30 15 33 1 31 15 34 1 32 16 35 1 33 16 36 1 34 17 18 ar 35 18 19 ar 36 18 38 1 37 19 20 ar 38 19 39 1 39 20 21 ar 40 20 22 1 41 21 40 1