@MOLECULE 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.8297 -0.7112 0.7551 C.ar 1 UNL1111 -0.0675 2 C -3.3527 -1.9215 0.2479 C.ar 1 UNL1111 -0.0071 3 C -4.6053 -1.9650 -0.3248 C.ar 1 UNL1111 -0.2741 4 C -5.3641 -0.7799 -0.4207 C.ar 1 UNL1111 0.3802 5 O -6.5715 -0.9094 -0.9731 O.3 1 UNL1111 -0.4479 6 C -4.8410 0.4388 0.0526 C.ar 1 UNL1111 -0.2710 7 N -5.5728 1.6657 -0.0531 N.pl3 1 UNL1111 0.6646 8 O -6.7070 1.6339 -0.5447 O.2 1 UNL1111 -0.4772 9 O -5.0680 2.6995 0.3419 O.2 1 UNL1111 -0.3683 10 C -3.5589 0.4564 0.6403 C.ar 1 UNL1111 -0.0339 11 C -1.4783 -0.7066 1.3951 C.3 1 UNL1111 -0.3610 12 C -0.3983 -0.6773 0.3245 C.2 1 UNL1111 0.5864 13 O -0.5775 -1.0342 -0.8198 O.2 1 UNL1111 -0.5186 14 N 0.8403 -0.2347 0.7432 N.am 1 UNL1111 -0.6223 15 C 1.9386 -0.1344 -0.2308 C.3 1 UNL1111 -0.0622 16 C 3.2958 -0.1716 0.4892 C.3 1 UNL1111 -0.3022 17 C 4.4282 0.0596 -0.5187 C.3 1 UNL1111 -0.2646 18 C 5.7876 0.0658 0.1896 C.3 1 UNL1111 -0.2548 19 C 6.9169 0.3163 -0.8139 C.3 1 UNL1111 -0.3476 20 C 8.2384 0.3208 -0.1166 C.2 1 UNL1111 0.6449 21 O 8.4923 0.1291 1.0424 O.2 1 UNL1111 -0.5054 22 O 9.2318 0.5887 -1.0074 O.3 1 UNL1111 -0.5713 23 H -2.7439 -2.8277 0.3055 H 1 UNL1111 0.1636 24 H -5.0263 -2.8902 -0.7179 H 1 UNL1111 0.1885 25 H -7.0570 -0.0126 -1.0200 H 1 UNL1111 0.3778 26 H -3.1550 1.4096 0.9991 H 1 UNL1111 0.1811 27 H -1.3351 -1.6160 2.0210 H 1 UNL1111 0.1771 28 H -1.3726 0.1470 2.0968 H 1 UNL1111 0.1696 29 H 1.0154 0.0935 1.6734 H 1 UNL1111 0.3083 30 H 1.8249 0.8069 -0.8166 H 1 UNL1111 0.1405 31 H 1.8563 -0.9721 -0.9649 H 1 UNL1111 0.1635 32 H 3.4293 -1.1452 0.9992 H 1 UNL1111 0.1506 33 H 3.3347 0.5974 1.2840 H 1 UNL1111 0.1427 34 H 4.2731 1.0186 -1.0503 H 1 UNL1111 0.1425 35 H 4.4080 -0.7278 -1.2971 H 1 UNL1111 0.1442 36 H 5.9540 -0.8951 0.7174 H 1 UNL1111 0.1550 37 H 5.8073 0.8385 0.9844 H 1 UNL1111 0.1530 38 H 6.7690 1.2808 -1.3484 H 1 UNL1111 0.1827 39 H 6.9175 -0.4571 -1.6137 H 1 UNL1111 0.1830 40 H 10.1338 0.6042 -0.6055 H 1 UNL1111 0.3573 @BOND 1 1 2 ar 2 1 10 ar 3 1 11 1 4 2 3 ar 5 2 23 1 6 3 4 ar 7 3 24 1 8 4 5 1 9 4 6 ar 10 5 25 1 11 6 7 1 12 6 10 ar 13 7 8 2 14 7 9 2 15 10 26 1 16 11 12 1 17 11 27 1 18 11 28 1 19 12 13 2 20 12 14 am 21 14 15 1 22 14 29 1 23 15 16 1 24 15 30 1 25 15 31 1 26 16 17 1 27 16 32 1 28 16 33 1 29 17 18 1 30 17 34 1 31 17 35 1 32 18 19 1 33 18 36 1 34 18 37 1 35 19 20 1 36 19 38 1 37 19 39 1 38 20 21 2 39 20 22 1 40 22 40 1