@MOLECULE (2s)-2-amino-n-[(2s)-1-(4-biphenylyl)-3-imino-2-propanyl]butanamide 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.6105 -2.1165 0.2426 C.3 1 UNL111111111 -0.0148 2 N 0.1670 -2.3162 0.0301 N.3 1 UNL111111111 -0.6226 3 C 2.0637 -0.8669 -0.5345 C.2 1 UNL111111111 0.5198 4 O 1.7108 -0.6651 -1.6797 O.2 1 UNL111111111 -0.5484 5 N 2.8409 0.0408 0.1472 N.am 1 UNL111111111 -0.5951 6 C 2.1574 2.4307 0.1865 C.3 1 UNL111111111 -0.3231 7 C 3.0999 1.3576 -0.4321 C.3 1 UNL111111111 0.0809 8 C 0.7385 1.9517 0.1600 C.ar 1 UNL111111111 0.0148 9 C 0.1575 1.4391 1.3224 C.ar 1 UNL111111111 -0.1705 10 C -1.1367 0.9283 1.2919 C.ar 1 UNL111111111 -0.1594 11 C -1.8617 0.9403 0.0993 C.ar 1 UNL111111111 -0.0364 12 C -1.2909 1.4701 -1.0598 C.ar 1 UNL111111111 -0.1395 13 C 0.0065 1.9732 -1.0293 C.ar 1 UNL111111111 -0.1448 14 C -3.2279 0.4010 0.0683 C.ar 1 UNL111111111 -0.0131 15 C -4.3175 1.2733 0.1165 C.ar 1 UNL111111111 -0.1510 16 C -5.6140 0.7651 0.0944 C.ar 1 UNL111111111 -0.1433 17 C -5.8240 -0.6110 0.0192 C.ar 1 UNL111111111 -0.1537 18 C -4.7357 -1.4805 -0.0312 C.ar 1 UNL111111111 -0.1383 19 C -3.4371 -0.9774 -0.0050 C.ar 1 UNL111111111 -0.1529 20 C 2.4224 -3.3169 -0.2783 C.3 1 UNL111111111 -0.2557 21 C 2.2276 -4.5310 0.6259 C.3 1 UNL111111111 -0.4300 22 C 4.5421 1.7866 -0.1621 C.2 1 UNL111111111 0.0600 23 N 5.1008 1.4431 0.9354 N.2 1 UNL111111111 -0.5046 24 H 4.9842 2.3868 -0.9673 H 1 UNL111111111 0.1275 25 H 1.7764 -1.9936 1.3435 H 1 UNL111111111 0.1560 26 H -0.3629 -1.5047 0.3244 H 1 UNL111111111 0.2562 27 H -0.0412 -2.4946 -0.9442 H 1 UNL111111111 0.2637 28 H 2.1160 -3.5571 -1.3166 H 1 UNL111111111 0.1546 29 H 3.4948 -3.0492 -0.3362 H 1 UNL111111111 0.1403 30 H 3.1787 -0.1066 1.0876 H 1 UNL111111111 0.3323 31 H 2.9212 1.3042 -1.5448 H 1 UNL111111111 0.1805 32 H 2.4790 2.6544 1.2248 H 1 UNL111111111 0.1640 33 H 2.2644 3.3818 -0.3702 H 1 UNL111111111 0.1561 34 H 0.7192 1.4308 2.2542 H 1 UNL111111111 0.1535 35 H 0.4567 2.3633 -1.9407 H 1 UNL111111111 0.1577 36 H -1.5881 0.5233 2.1965 H 1 UNL111111111 0.1594 37 H -1.8587 1.4774 -1.9893 H 1 UNL111111111 0.1610 38 H -4.1493 2.3469 0.1744 H 1 UNL111111111 0.1557 39 H -2.5888 -1.6589 -0.0416 H 1 UNL111111111 0.1582 40 H -6.4634 1.4436 0.1352 H 1 UNL111111111 0.1473 41 H -6.8371 -1.0057 0.0000 H 1 UNL111111111 0.1458 42 H -4.8992 -2.5549 -0.0894 H 1 UNL111111111 0.1498 43 H 2.6468 -4.3666 1.6239 H 1 UNL111111111 0.1383 44 H 1.1572 -4.7522 0.7541 H 1 UNL111111111 0.1650 45 H 2.7033 -5.4229 0.2059 H 1 UNL111111111 0.1372 46 H 6.0498 1.7103 1.1382 H 1 UNL111111111 0.2616 @BOND 1 1 2 1 2 1 3 1 3 1 20 1 4 1 25 1 5 2 26 1 6 2 27 1 7 3 4 2 8 3 5 am 9 5 7 1 10 5 30 1 11 6 7 1 12 6 8 1 13 6 32 1 14 6 33 1 15 7 22 1 16 7 31 1 17 8 9 ar 18 8 13 ar 19 9 10 ar 20 9 34 1 21 10 11 ar 22 10 36 1 23 11 12 ar 24 11 14 1 25 12 13 ar 26 12 37 1 27 13 35 1 28 14 15 ar 29 14 19 ar 30 15 16 ar 31 15 38 1 32 16 17 ar 33 16 40 1 34 17 18 ar 35 17 41 1 36 18 19 ar 37 18 42 1 38 19 39 1 39 20 21 1 40 20 28 1 41 20 29 1 42 21 43 1 43 21 44 1 44 21 45 1 45 22 23 2 46 22 24 1 47 23 46 1