@MOLECULE 4-[({4-[(2-carboxy-2-propanyl)oxy]-7-methyl-2-quinolinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentanoic acid 74 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 10.0774 -0.6176 1.9370 C.3 1 UNL1 -0.4618 2 C 9.3825 -1.4732 0.8926 C.3 1 UNL1 0.0180 3 O 7.9822 -1.2166 1.1237 O.3 1 UNL1 -0.4367 4 C 7.1420 -1.8669 0.2761 C.2 1 UNL1 0.6951 5 O 7.5164 -2.5229 -0.6707 O.2 1 UNL1 -0.5480 6 N 5.8113 -1.7562 0.6924 N.am 1 UNL1 -0.4462 7 C 5.4484 -0.6716 1.6186 C.3 1 UNL1 -0.1162 8 C 5.1688 0.6493 0.8619 C.3 1 UNL1 -0.1168 9 N 4.1693 0.4414 -0.2013 N.am 1 UNL1 -0.4712 10 C 4.5455 -0.6271 -1.1347 C.3 1 UNL1 -0.1221 11 C 4.8143 -1.9517 -0.3748 C.3 1 UNL1 -0.1170 12 C 2.8505 0.7479 0.0954 C.2 1 UNL1 0.5378 13 O 2.5739 1.3617 1.1078 O.2 1 UNL1 -0.5270 14 C 1.7642 0.4304 -0.9450 C.3 1 UNL1 0.0109 15 C 1.8936 1.4104 -2.1327 C.3 1 UNL1 -0.2871 16 C 1.6598 2.8678 -1.7369 C.3 1 UNL1 -0.3972 17 C 0.7833 3.5783 -2.7336 C.2 1 UNL1 0.6307 18 O 1.0345 4.6151 -3.2816 O.2 1 UNL1 -0.4427 19 O -0.4070 2.9819 -3.0172 O.3 1 UNL1 -0.5394 20 N 0.4655 0.5292 -0.2751 N.am 1 UNL1 -0.5570 21 C -0.6567 0.0832 -0.9181 C.2 1 UNL1 0.5662 22 O -0.5976 -0.3906 -2.0398 O.2 1 UNL1 -0.5453 23 C -1.9679 0.1880 -0.1862 C.ar 1 UNL1 0.1132 24 C -3.0900 -0.4574 -0.7672 C.ar 1 UNL1 -0.3027 25 C -4.2902 -0.3466 -0.1063 C.ar 1 UNL1 0.3153 26 C -4.4014 0.4126 1.0934 C.ar 1 UNL1 -0.1527 27 C -5.6193 0.6019 1.7929 C.ar 1 UNL1 -0.0972 28 C -5.6430 1.3459 2.9426 C.ar 1 UNL1 -0.1870 29 C -4.4534 1.9433 3.4477 C.ar 1 UNL1 0.0815 30 C -3.2606 1.7835 2.7849 C.ar 1 UNL1 -0.2040 31 C -3.2143 1.0155 1.5883 C.ar 1 UNL1 0.1914 32 N -2.0087 0.8832 0.9392 N.ar 1 UNL1 -0.3913 33 C -4.5331 2.7370 4.7052 C.3 1 UNL1 -0.4579 34 O -5.4528 -0.8360 -0.6225 O.3 1 UNL1 -0.4449 35 C -5.6533 -2.2560 -0.5916 C.3 1 UNL1 0.2300 36 C -4.7891 -2.9569 -1.6246 C.3 1 UNL1 -0.4979 37 C -5.4740 -2.7937 0.8148 C.3 1 UNL1 -0.4964 38 C -7.1304 -2.3894 -1.0257 C.2 1 UNL1 0.5898 39 O -7.8097 -3.3436 -0.7700 O.2 1 UNL1 -0.4354 40 O -7.6564 -1.3955 -1.7748 O.3 1 UNL1 -0.5119 41 H 11.1660 -0.7380 1.8823 H 1 UNL1 0.1579 42 H 9.7591 -0.8887 2.9528 H 1 UNL1 0.1616 43 H 9.8481 0.4476 1.8021 H 1 UNL1 0.1597 44 H 9.5632 -2.5547 1.0238 H 1 UNL1 0.1380 45 H 9.6270 -1.1805 -0.1439 H 1 UNL1 0.1378 46 H 6.2500 -0.5252 2.3772 H 1 UNL1 0.1721 47 H 4.5408 -0.9962 2.1806 H 1 UNL1 0.1646 48 H 6.1008 1.0383 0.3930 H 1 UNL1 0.1568 49 H 4.8159 1.4340 1.5729 H 1 UNL1 0.1822 50 H 5.4706 -0.3049 -1.6733 H 1 UNL1 0.1677 51 H 3.7763 -0.7788 -1.9188 H 1 UNL1 0.1545 52 H 3.8830 -2.3367 0.0982 H 1 UNL1 0.1592 53 H 5.1670 -2.7408 -1.0819 H 1 UNL1 0.1822 54 H 1.8739 -0.6236 -1.3313 H 1 UNL1 0.1712 55 H 1.1859 1.0830 -2.9301 H 1 UNL1 0.1828 56 H 2.8976 1.3031 -2.5924 H 1 UNL1 0.1597 57 H 2.6276 3.4089 -1.6435 H 1 UNL1 0.1867 58 H 1.2067 2.9531 -0.7229 H 1 UNL1 0.1950 59 H -0.5652 2.1376 -2.5317 H 1 UNL1 0.3494 60 H 0.4300 0.9782 0.6433 H 1 UNL1 0.3628 61 H -2.9784 -0.9881 -1.7128 H 1 UNL1 0.2093 62 H -6.5302 0.1536 1.3897 H 1 UNL1 0.1716 63 H -6.5753 1.4968 3.4866 H 1 UNL1 0.1658 64 H -2.3341 2.2336 3.1443 H 1 UNL1 0.1848 65 H -4.6563 2.0791 5.5801 H 1 UNL1 0.1664 66 H -5.3879 3.4298 4.6995 H 1 UNL1 0.1650 67 H -3.6336 3.3429 4.8844 H 1 UNL1 0.1625 68 H -3.7440 -3.0457 -1.2984 H 1 UNL1 0.1712 69 H -4.7899 -2.4259 -2.5873 H 1 UNL1 0.1737 70 H -5.1455 -3.9808 -1.8155 H 1 UNL1 0.1772 71 H -4.4213 -2.8045 1.1233 H 1 UNL1 0.1657 72 H -5.8512 -3.8261 0.8964 H 1 UNL1 0.1853 73 H -6.0247 -2.1970 1.5554 H 1 UNL1 0.1699 74 H -7.0567 -0.6156 -1.8985 H 1 UNL1 0.3607 @BOND 1 18 17 2 2 19 17 1 3 19 59 1 4 55 15 1 5 17 16 1 6 56 15 1 7 69 36 1 8 15 16 1 9 15 14 1 10 22 21 2 11 51 10 1 12 74 40 1 13 70 36 1 14 40 38 1 15 16 57 1 16 16 58 1 17 61 24 1 18 50 10 1 19 36 68 1 20 36 35 1 21 54 14 1 22 10 11 1 23 10 9 1 24 53 11 1 25 38 39 2 26 38 35 1 27 14 20 1 28 14 12 1 29 21 20 am 30 21 23 1 31 24 23 ar 32 24 25 ar 33 5 4 2 34 34 35 1 35 34 25 1 36 35 37 1 37 11 52 1 38 11 6 1 39 20 60 1 40 9 12 am 41 9 8 1 42 23 32 ar 43 45 2 1 44 25 26 ar 45 12 13 2 46 4 6 am 47 4 3 1 48 48 8 1 49 6 7 1 50 37 72 1 51 37 71 1 52 37 73 1 53 8 49 1 54 8 7 1 55 2 44 1 56 2 3 1 57 2 1 1 58 32 31 ar 59 26 31 ar 60 26 27 ar 61 62 27 1 62 31 30 ar 63 7 47 1 64 7 46 1 65 27 28 ar 66 43 1 1 67 41 1 1 68 1 42 1 69 30 64 1 70 30 29 ar 71 28 29 ar 72 28 63 1 73 29 33 1 74 66 33 1 75 33 67 1 76 33 65 1