@MOLECULE {4-[2,2-bis(ethoxycarbonyl)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butyl]phenyl}sulfamic acid 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.5129 -0.3078 -0.4017 N.pl3 1 UNL1111111111 -0.8254 2 O 1.4908 0.2903 0.9035 O.2 1 UNL1111111111 -0.5381 3 C 0.5845 0.5282 0.1457 C.2 1 UNL1111111111 0.6191 4 O 0.3509 1.7523 -0.3605 O.3 1 UNL1111111111 -0.4224 5 C 1.3299 2.7663 -0.0446 C.3 1 UNL1111111111 0.0037 6 C 0.8784 3.9648 -0.8589 C.3 1 UNL1111111111 -0.4639 7 C -0.4130 -0.4879 -0.4066 C.3 1 UNL1111111111 -0.0927 8 C -1.8117 0.1133 -0.5831 C.3 1 UNL1111111111 -0.3099 9 C -2.3852 0.6938 0.7281 C.3 1 UNL1111111111 -0.0485 10 N -3.6763 1.3373 0.4846 N.am 1 UNL1111111111 -0.5955 11 C -4.7919 0.5368 0.3514 C.2 1 UNL1111111111 0.7425 12 O -4.8182 -0.6601 0.5422 O.2 1 UNL1111111111 -0.5732 13 O -5.8449 1.3157 -0.0104 O.3 1 UNL1111111111 -0.4935 14 C -7.1705 0.7356 -0.0347 C.3 1 UNL1111111111 0.3859 15 C -7.5216 0.2181 1.3550 C.3 1 UNL1111111111 -0.5118 16 C -8.0125 1.9584 -0.4179 C.3 1 UNL1111111111 -0.4839 17 C -7.2239 -0.3487 -1.1045 C.3 1 UNL1111111111 -0.5115 18 C -0.5012 -1.6113 0.6177 C.2 1 UNL1111111111 0.5931 19 O -0.4166 -2.8197 0.0231 O.3 1 UNL1111111111 -0.4227 20 C -0.5370 -3.9578 0.8966 C.3 1 UNL1111111111 0.0098 21 C -0.3576 -5.1466 -0.0318 C.3 1 UNL1111111111 -0.4655 22 O -0.6597 -1.4730 1.8014 O.2 1 UNL1111111111 -0.4804 23 C 0.1243 -0.9763 -1.7813 C.3 1 UNL1111111111 -0.2738 24 C 1.6198 -0.9841 -1.7395 C.ar 1 UNL1111111111 -0.0564 25 C 2.3068 -2.0280 -1.1172 C.ar 1 UNL1111111111 -0.1148 26 C 3.6355 -1.8599 -0.7432 C.ar 1 UNL1111111111 -0.2205 27 C 2.3188 0.1436 -2.1824 C.ar 1 UNL1111111111 -0.1392 28 C 3.6438 0.3269 -1.8132 C.ar 1 UNL1111111111 -0.1843 29 C 4.2641 -0.6331 -0.9987 C.ar 1 UNL1111111111 0.1824 30 S 5.4552 0.9788 0.7695 S.O2 1 UNL1111111111 2.5462 31 O 4.7666 2.1008 0.1898 O.2 1 UNL1111111111 -0.9104 32 O 6.7595 1.0711 1.3514 O.2 1 UNL1111111111 -0.8480 33 O 4.4339 0.3149 1.8628 O.3 1 UNL1111111111 -0.8396 34 H 6.1160 -1.1005 -0.1910 H 1 UNL1111111111 0.3142 35 H 2.3352 2.3996 -0.3374 H 1 UNL1111111111 0.1634 36 H 1.3039 2.9406 1.0441 H 1 UNL1111111111 0.1368 37 H 0.7797 3.7104 -1.9223 H 1 UNL1111111111 0.1570 38 H -0.0947 4.3429 -0.5236 H 1 UNL1111111111 0.1539 39 H 1.6076 4.7817 -0.7796 H 1 UNL1111111111 0.1609 40 H -1.7803 0.9106 -1.3545 H 1 UNL1111111111 0.1675 41 H -2.5079 -0.6622 -0.9721 H 1 UNL1111111111 0.1756 42 H -2.5180 -0.1160 1.4919 H 1 UNL1111111111 0.1850 43 H -1.6912 1.4450 1.1687 H 1 UNL1111111111 0.1530 44 H -3.6944 2.3021 0.2033 H 1 UNL1111111111 0.3205 45 H -7.3290 0.9768 2.1231 H 1 UNL1111111111 0.1607 46 H -8.5747 -0.0717 1.4208 H 1 UNL1111111111 0.1561 47 H -6.9191 -0.6656 1.6184 H 1 UNL1111111111 0.1826 48 H -7.6915 2.3746 -1.3803 H 1 UNL1111111111 0.1592 49 H -9.0715 1.6945 -0.4958 H 1 UNL1111111111 0.1563 50 H -7.9126 2.7567 0.3276 H 1 UNL1111111111 0.1609 51 H -6.6116 -1.2194 -0.8221 H 1 UNL1111111111 0.1828 52 H -8.2467 -0.7040 -1.2630 H 1 UNL1111111111 0.1558 53 H -6.8381 0.0173 -2.0626 H 1 UNL1111111111 0.1566 54 H 0.2457 -3.8894 1.6730 H 1 UNL1111111111 0.1391 55 H -1.5341 -3.9239 1.3711 H 1 UNL1111111111 0.1407 56 H 0.6329 -5.1459 -0.5042 H 1 UNL1111111111 0.1561 57 H -0.4694 -6.0915 0.5125 H 1 UNL1111111111 0.1552 58 H -1.1000 -5.1362 -0.8413 H 1 UNL1111111111 0.1608 59 H -0.2884 -1.9783 -2.0258 H 1 UNL1111111111 0.1830 60 H -0.2479 -0.3103 -2.5878 H 1 UNL1111111111 0.1635 61 H 1.7822 -2.9518 -0.8686 H 1 UNL1111111111 0.1649 62 H 4.1552 -2.6492 -0.2069 H 1 UNL1111111111 0.1601 63 H 1.8093 0.9061 -2.7698 H 1 UNL1111111111 0.1554 64 H 4.1817 1.2310 -2.1059 H 1 UNL1111111111 0.1842 65 H 3.4680 0.4189 1.7199 H 1 UNL1111111111 0.4211 @BOND 1 1 29 1 2 1 30 1 3 1 34 1 4 2 3 2 5 3 4 1 6 3 7 1 7 4 5 1 8 5 6 1 9 5 35 1 10 5 36 1 11 6 37 1 12 6 38 1 13 6 39 1 14 7 8 1 15 7 18 1 16 7 23 1 17 8 9 1 18 8 40 1 19 8 41 1 20 9 10 1 21 9 42 1 22 9 43 1 23 10 11 am 24 10 44 1 25 11 12 2 26 11 13 1 27 13 14 1 28 14 15 1 29 14 16 1 30 14 17 1 31 15 45 1 32 15 46 1 33 15 47 1 34 16 48 1 35 16 49 1 36 16 50 1 37 17 51 1 38 17 52 1 39 17 53 1 40 18 19 1 41 18 22 2 42 19 20 1 43 20 21 1 44 20 54 1 45 20 55 1 46 21 56 1 47 21 57 1 48 21 58 1 49 23 24 1 50 23 59 1 51 23 60 1 52 24 25 ar 53 24 27 ar 54 25 26 ar 55 25 61 1 56 26 29 ar 57 26 62 1 58 27 28 ar 59 27 63 1 60 28 29 ar 61 28 64 1 62 30 31 2 63 30 32 2 64 30 33 1 65 33 65 1