@MOLECULE n-methyl-n-{2-[(2-naphthylsulfonyl)amino]-5-[(2-naphthylsulfonyl)oxy]benzoyl}-l-aspartic acid 72 76 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.2137 2.7038 -0.8358 C.ar 1 UNL1111111111 -0.4104 2 C 0.8063 1.8865 -1.2577 C.ar 1 UNL1111111111 -0.0730 3 C 0.6063 0.9742 -2.3241 C.ar 1 UNL1111111111 -0.0441 4 C -0.6523 0.9298 -2.9640 C.ar 1 UNL1111111111 0.0421 5 C -1.6662 1.8396 -2.5620 C.ar 1 UNL1111111111 -0.1687 6 C -1.4530 2.7084 -1.5204 C.ar 1 UNL1111111111 -0.0572 7 C 1.6331 0.0770 -2.7327 C.ar 1 UNL1111111111 -0.1582 8 C -0.8761 -0.0371 -3.9850 C.ar 1 UNL1111111111 -0.1362 9 C 0.1199 -0.9070 -4.3431 C.ar 1 UNL1111111111 -0.1324 10 C 1.3915 -0.8459 -3.7147 C.ar 1 UNL1111111111 -0.1426 11 S -0.0185 3.6475 0.6261 S.O2 1 UNL1111111111 2.3687 12 O -0.6684 4.9247 0.5182 O.2 1 UNL1111111111 -0.8669 13 N -0.9807 2.7403 1.8068 N.pl3 1 UNL1111111111 -0.8086 14 C 1.2257 -0.0310 2.8406 C.ar 1 UNL1111111111 -0.1592 15 C 0.6830 1.2344 2.7155 C.ar 1 UNL1111111111 -0.1757 16 C -0.5585 1.4208 2.0670 C.ar 1 UNL1111111111 0.2303 17 C -1.3177 0.2971 1.6832 C.ar 1 UNL1111111111 -0.2097 18 C -0.7595 -0.9779 1.7880 C.ar 1 UNL1111111111 -0.1520 19 C 0.5240 -1.1175 2.2981 C.ar 1 UNL1111111111 0.2045 20 C -2.6028 0.4774 0.9699 C.2 1 UNL1111111111 0.6103 21 S 1.5615 -2.9831 0.7943 S.O2 1 UNL1111111111 2.4084 22 C 6.4876 1.5235 -0.2412 C.ar 1 UNL1111111111 -0.1146 23 C 6.5232 0.1533 -0.2886 C.ar 1 UNL1111111111 -0.1941 24 C 5.3397 -0.6018 -0.0671 C.ar 1 UNL1111111111 0.0390 25 C 4.1237 0.0772 0.1699 C.ar 1 UNL1111111111 -0.0602 26 C 4.1191 1.4973 0.2488 C.ar 1 UNL1111111111 -0.1317 27 C 5.2760 2.2023 0.0439 C.ar 1 UNL1111111111 -0.1606 28 C 5.3512 -2.0246 -0.0614 C.ar 1 UNL1111111111 -0.1761 29 C 2.9346 -0.6781 0.3548 C.ar 1 UNL1111111111 -0.0429 30 C 2.9804 -2.0495 0.4134 C.ar 1 UNL1111111111 -0.4078 31 C 4.2055 -2.7309 0.1968 C.ar 1 UNL1111111111 -0.0854 32 N -3.5967 -0.4813 1.0211 N.am 1 UNL1111111111 -0.4740 33 O -2.7996 1.4613 0.2669 O.2 1 UNL1111111111 -0.5870 34 O 1.1370 -2.3340 2.3033 O.3 1 UNL1111111111 -0.6643 35 O 1.8982 -4.3531 1.0396 O.2 1 UNL1111111111 -0.8437 36 O 0.4733 -2.6313 -0.0956 O.2 1 UNL1111111111 -0.9553 37 O 1.3595 3.5150 1.0507 O.2 1 UNL1111111111 -0.9264 38 C -3.6983 -1.5107 2.0529 C.3 1 UNL1111111111 -0.2309 39 C -4.5285 -0.5526 -0.0971 C.3 1 UNL1111111111 0.0408 40 C -5.9881 -0.4729 0.3348 C.2 1 UNL1111111111 0.6002 41 O -6.1484 0.2359 1.4722 O.3 1 UNL1111111111 -0.5216 42 O -6.9276 -0.9380 -0.2552 O.2 1 UNL1111111111 -0.5043 43 C -2.9104 -1.9547 -1.3831 C.2 1 UNL1111111111 0.6623 44 O -2.1865 -2.6671 -0.5088 O.3 1 UNL1111111111 -0.5994 45 O -2.4557 -1.4839 -2.3918 O.2 1 UNL1111111111 -0.5154 46 C -4.3392 -1.8517 -0.9112 C.3 1 UNL1111111111 -0.3814 47 H 1.7936 1.9071 -0.7836 H 1 UNL1111111111 0.1641 48 H -2.6233 1.8183 -3.0811 H 1 UNL1111111111 0.1611 49 H -2.2520 3.3906 -1.2111 H 1 UNL1111111111 0.1731 50 H 2.6053 0.1350 -2.2469 H 1 UNL1111111111 0.1496 51 H -1.8632 -0.0934 -4.4447 H 1 UNL1111111111 0.1659 52 H -0.0522 -1.6656 -5.1055 H 1 UNL1111111111 0.1552 53 H 2.1623 -1.5498 -4.0227 H 1 UNL1111111111 0.1517 54 H -1.9964 2.8376 1.6832 H 1 UNL1111111111 0.3264 55 H 2.1876 -0.1917 3.3250 H 1 UNL1111111111 0.1716 56 H 1.2271 2.1108 3.0843 H 1 UNL1111111111 0.1969 57 H -1.2940 -1.8586 1.4173 H 1 UNL1111111111 0.1991 58 H 7.3905 2.1105 -0.4135 H 1 UNL1111111111 0.1593 59 H 7.4531 -0.3742 -0.4921 H 1 UNL1111111111 0.1575 60 H 3.1894 2.0248 0.5039 H 1 UNL1111111111 0.1954 61 H 5.2800 3.2915 0.1041 H 1 UNL1111111111 0.1676 62 H 6.2917 -2.5397 -0.2517 H 1 UNL1111111111 0.1571 63 H 1.9942 -0.1187 0.4471 H 1 UNL1111111111 0.1758 64 H 4.2384 -3.8265 0.2349 H 1 UNL1111111111 0.1765 65 H -3.0984 -1.2398 2.9401 H 1 UNL1111111111 0.1573 66 H -4.7471 -1.6053 2.3934 H 1 UNL1111111111 0.1582 67 H -3.3516 -2.4954 1.6803 H 1 UNL1111111111 0.1640 68 H -4.3510 0.3432 -0.7829 H 1 UNL1111111111 0.2182 69 H -7.1002 0.3545 1.7288 H 1 UNL1111111111 0.3529 70 H -1.1851 -2.6706 -0.6347 H 1 UNL1111111111 0.4195 71 H -4.6166 -2.7455 -0.3135 H 1 UNL1111111111 0.1896 72 H -5.0248 -1.8496 -1.7898 H 1 UNL1111111111 0.2013 @BOND 1 1 2 ar 2 1 6 ar 3 1 11 1 4 2 3 ar 5 2 47 1 6 3 4 ar 7 3 7 ar 8 4 5 ar 9 4 8 ar 10 5 6 ar 11 5 48 1 12 6 49 1 13 7 10 ar 14 7 50 1 15 8 9 ar 16 8 51 1 17 9 10 ar 18 9 52 1 19 10 53 1 20 11 12 2 21 11 13 1 22 11 37 2 23 13 16 1 24 13 54 1 25 14 15 ar 26 14 19 ar 27 14 55 1 28 15 16 ar 29 15 56 1 30 16 17 ar 31 17 18 ar 32 17 20 1 33 18 19 ar 34 18 57 1 35 19 34 1 36 20 32 am 37 20 33 2 38 21 30 1 39 21 34 1 40 21 35 2 41 21 36 2 42 22 23 ar 43 22 27 ar 44 22 58 1 45 23 24 ar 46 23 59 1 47 24 25 ar 48 24 28 ar 49 25 26 ar 50 25 29 ar 51 26 27 ar 52 26 60 1 53 27 61 1 54 28 31 ar 55 28 62 1 56 29 30 ar 57 29 63 1 58 30 31 ar 59 31 64 1 60 32 38 1 61 32 39 1 62 38 65 1 63 38 66 1 64 38 67 1 65 39 40 1 66 39 46 1 67 39 68 1 68 40 41 1 69 40 42 2 70 41 69 1 71 43 44 1 72 43 45 2 73 43 46 1 74 44 70 1 75 46 71 1 76 46 72 1