@MOLECULE n-(4-acetamidophenyl)-2-(1h-benzotriazol-1-yl)-n-{2-[(2-methyl-2-butanyl)amino]-1-(1-methyl-1h-pyrrol-2-yl)-2-oxoethyl}acetamide 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9429 -1.1888 0.6582 O.2 1 UNL1111111111 -0.4485 2 C -1.6406 -0.0393 0.4560 C.2 1 UNL1111111111 0.5488 3 N -0.2906 0.3348 0.3557 N.am 1 UNL1111111111 -0.4924 4 C 0.0603 1.6745 -0.1426 C.3 1 UNL1111111111 0.0030 5 C 1.5653 1.9990 0.0925 C.2 1 UNL1111111111 0.5674 6 O 2.1795 2.6716 -0.7081 O.2 1 UNL1111111111 -0.5434 7 N 2.0783 1.5994 1.2989 N.am 1 UNL1111111111 -0.6103 8 C 3.5252 1.7376 1.6279 C.3 1 UNL1111111111 0.3191 9 C 4.3665 1.0483 0.5444 C.3 1 UNL1111111111 -0.4959 10 C 3.8414 3.2498 1.7279 C.3 1 UNL1111111111 -0.2980 11 C 5.2638 3.5365 2.1982 C.3 1 UNL1111111111 -0.4351 12 C 3.7352 1.0304 2.9803 C.3 1 UNL1111111111 -0.4942 13 C -0.3269 1.8581 -1.5718 C.ar 1 UNL1111111111 -0.0490 14 C -0.7917 0.8954 -2.4816 C.ar 1 UNL1111111111 -0.2215 15 C -1.1004 1.5624 -3.6893 C.ar 1 UNL1111111111 -0.2175 16 C -0.8167 2.9197 -3.5036 C.ar 1 UNL1111111111 -0.1036 17 N -0.3629 3.0902 -2.2090 N.ar 1 UNL1111111111 -0.1471 18 C 0.1216 4.3480 -1.6753 C.3 1 UNL1111111111 -0.2577 19 C 0.6602 -0.7290 0.1973 C.ar 1 UNL1111111111 0.1139 20 C 0.7185 -1.6968 1.2111 C.ar 1 UNL1111111111 -0.1032 21 C 1.6626 -2.7089 1.1426 C.ar 1 UNL1111111111 -0.2529 22 C 1.5336 -0.7990 -0.8921 C.ar 1 UNL1111111111 -0.1520 23 C 2.4814 -1.8125 -0.9636 C.ar 1 UNL1111111111 -0.2002 24 C 2.5563 -2.7702 0.0559 C.ar 1 UNL1111111111 0.2140 25 N 3.5096 -3.8121 0.0754 N.am 1 UNL1111111111 -0.5797 26 C 4.4245 -4.0955 -0.9426 C.2 1 UNL1111111111 0.6142 27 C 5.3385 -5.2534 -0.6458 C.3 1 UNL1111111111 -0.5377 28 O 4.4803 -3.4550 -1.9644 O.2 1 UNL1111111111 -0.4941 29 C -2.6932 1.0709 0.3654 C.3 1 UNL1111111111 -0.1526 30 N -3.9744 0.5863 0.8308 N.ar 1 UNL1111111111 -0.2331 31 N -4.3793 0.7926 2.1344 N.ar 1 UNL1111111111 0.0029 32 N -5.3771 0.0491 2.4146 N.ar 1 UNL1111111111 -0.1884 33 C -5.6766 -0.7812 1.3104 C.ar 1 UNL1111111111 -0.0232 34 C -4.7392 -0.4470 0.2786 C.ar 1 UNL1111111111 0.0860 35 C -6.6503 -1.7613 1.1025 C.ar 1 UNL1111111111 -0.0859 36 C -6.6600 -2.3859 -0.1311 C.ar 1 UNL1111111111 -0.1850 37 C -5.7328 -2.0516 -1.1461 C.ar 1 UNL1111111111 -0.1001 38 C -4.7647 -1.0811 -0.9676 C.ar 1 UNL1111111111 -0.1735 39 H -0.4950 2.4294 0.4974 H 1 UNL1111111111 0.1664 40 H 1.5420 0.9637 1.8796 H 1 UNL1111111111 0.3260 41 H 4.2921 1.5823 -0.4155 H 1 UNL1111111111 0.1808 42 H 5.4238 1.0111 0.8186 H 1 UNL1111111111 0.1508 43 H 4.0310 0.0192 0.3654 H 1 UNL1111111111 0.1608 44 H 3.6780 3.7163 0.7323 H 1 UNL1111111111 0.1698 45 H 3.1134 3.7321 2.4068 H 1 UNL1111111111 0.1409 46 H 5.4144 3.2514 3.2446 H 1 UNL1111111111 0.1396 47 H 6.0058 3.0024 1.5934 H 1 UNL1111111111 0.1475 48 H 5.4922 4.6059 2.1163 H 1 UNL1111111111 0.1418 49 H 3.4463 -0.0255 2.9359 H 1 UNL1111111111 0.1543 50 H 4.7917 1.0594 3.2694 H 1 UNL1111111111 0.1609 51 H 3.1636 1.5091 3.7821 H 1 UNL1111111111 0.1533 52 H -0.8903 -0.1555 -2.3059 H 1 UNL1111111111 0.1709 53 H -1.4789 1.1112 -4.5801 H 1 UNL1111111111 0.1600 54 H -0.9140 3.7330 -4.1921 H 1 UNL1111111111 0.1587 55 H 1.2255 4.4227 -1.8021 H 1 UNL1111111111 0.1894 56 H -0.3426 5.2033 -2.1951 H 1 UNL1111111111 0.1509 57 H -0.0925 4.4390 -0.5969 H 1 UNL1111111111 0.1540 58 H 0.0125 -1.6618 2.0437 H 1 UNL1111111111 0.1779 59 H 1.6983 -3.4591 1.9289 H 1 UNL1111111111 0.1572 60 H 1.4871 -0.0550 -1.6940 H 1 UNL1111111111 0.1854 61 H 3.1558 -1.8494 -1.8245 H 1 UNL1111111111 0.2049 62 H 3.4927 -4.4151 0.8915 H 1 UNL1111111111 0.3104 63 H 6.0161 -5.4222 -1.5011 H 1 UNL1111111111 0.1922 64 H 5.9700 -5.0646 0.2320 H 1 UNL1111111111 0.1750 65 H 4.7904 -6.1901 -0.4838 H 1 UNL1111111111 0.1754 66 H -2.3994 1.9639 0.9720 H 1 UNL1111111111 0.1912 67 H -2.7852 1.4070 -0.7030 H 1 UNL1111111111 0.1981 68 H -7.3591 -2.0105 1.8900 H 1 UNL1111111111 0.1716 69 H -7.3987 -3.1599 -0.3377 H 1 UNL1111111111 0.1600 70 H -5.7901 -2.5845 -2.0971 H 1 UNL1111111111 0.1580 71 H -4.0475 -0.8300 -1.7437 H 1 UNL1111111111 0.1724 @BOND 1 2 1 2 2 2 3 am 3 3 4 1 4 4 13 1 5 4 39 1 6 5 7 am 7 5 4 1 8 6 5 2 9 7 40 1 10 8 7 1 11 8 12 1 12 9 8 1 13 9 41 1 14 9 42 1 15 9 43 1 16 10 11 1 17 10 8 1 18 10 44 1 19 10 45 1 20 11 46 1 21 11 47 1 22 11 48 1 23 12 49 1 24 12 50 1 25 12 51 1 26 13 17 ar 27 14 13 ar 28 14 15 ar 29 14 52 1 30 15 16 ar 31 15 53 1 32 16 54 1 33 17 16 ar 34 17 18 1 35 18 55 1 36 18 56 1 37 18 57 1 38 19 3 1 39 19 22 ar 40 20 19 ar 41 20 58 1 42 21 20 ar 43 21 24 ar 44 21 59 1 45 22 60 1 46 23 22 ar 47 23 61 1 48 24 23 ar 49 25 24 1 50 25 62 1 51 26 25 am 52 27 26 1 53 27 63 1 54 27 64 1 55 27 65 1 56 28 26 2 57 29 2 1 58 29 66 1 59 29 67 1 60 30 29 1 61 30 31 ar 62 32 31 ar 63 33 32 ar 64 34 33 ar 65 34 30 ar 66 35 33 ar 67 35 68 1 68 36 35 ar 69 36 69 1 70 37 36 ar 71 37 38 ar 72 37 70 1 73 38 34 ar 74 38 71 1