@MOLECULE 7-(2-amino-6-hexylcyclohexyl)heptanoic acid 59 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.3367 1.7824 0.5395 O.3 1 UNL111111111 -0.5751 2 O -7.1390 2.0784 -1.3134 O.2 1 UNL111111111 -0.5060 3 N 1.5089 -3.7979 1.6306 N.3 1 UNL111111111 -0.6584 4 C 0.9826 -1.6253 0.5768 C.3 1 UNL111111111 -0.1349 5 C 2.3956 -1.3009 0.0359 C.3 1 UNL111111111 -0.1119 6 C 0.7316 -3.1575 0.5463 C.3 1 UNL111111111 0.0526 7 C 2.5779 -1.8604 -1.3837 C.3 1 UNL111111111 -0.2792 8 C 1.0200 -3.7652 -0.8478 C.3 1 UNL111111111 -0.3302 9 C 2.4060 -3.3835 -1.3736 C.3 1 UNL111111111 -0.2623 10 C -0.1264 -0.8957 -0.2007 C.3 1 UNL111111111 -0.2887 11 C 2.6811 0.2113 0.0754 C.3 1 UNL111111111 -0.2899 12 C -1.4329 -0.8288 0.6010 C.3 1 UNL111111111 -0.2739 13 C 4.1890 0.4953 0.0858 C.3 1 UNL111111111 -0.2682 14 C -2.5047 -0.0763 -0.1977 C.3 1 UNL111111111 -0.2666 15 C 4.4509 2.0070 0.0863 C.3 1 UNL111111111 -0.2717 16 C -3.8130 0.0146 0.5979 C.3 1 UNL111111111 -0.2719 17 C 5.9574 2.2949 0.0930 C.3 1 UNL111111111 -0.2737 18 C -4.8710 0.7821 -0.2015 C.3 1 UNL111111111 -0.2603 19 C 6.2230 3.8061 0.0932 C.3 1 UNL111111111 -0.2522 20 C -6.1763 0.8883 0.5913 C.3 1 UNL111111111 -0.3478 21 C 7.7240 4.0962 0.0965 C.3 1 UNL111111111 -0.4398 22 C -7.2010 1.6347 -0.1981 C.2 1 UNL111111111 0.6469 23 H 0.9440 -1.2998 1.6474 H 1 UNL111111111 0.1531 24 H 3.1340 -1.8034 0.7097 H 1 UNL111111111 0.1332 25 H -0.3494 -3.3431 0.7921 H 1 UNL111111111 0.1359 26 H 1.8511 -1.3973 -2.0754 H 1 UNL111111111 0.1406 27 H 3.5775 -1.5936 -1.7732 H 1 UNL111111111 0.1359 28 H 0.9168 -4.8638 -0.8061 H 1 UNL111111111 0.1332 29 H 0.2449 -3.4212 -1.5586 H 1 UNL111111111 0.1452 30 H 3.1944 -3.8503 -0.7550 H 1 UNL111111111 0.1305 31 H 2.5471 -3.7874 -2.3937 H 1 UNL111111111 0.1340 32 H 0.1995 0.1324 -0.4484 H 1 UNL111111111 0.1433 33 H -0.3008 -1.3896 -1.1743 H 1 UNL111111111 0.1405 34 H 2.2160 0.6562 0.9761 H 1 UNL111111111 0.1418 35 H 2.2105 0.7141 -0.7894 H 1 UNL111111111 0.1393 36 H -1.2563 -0.3280 1.5714 H 1 UNL111111111 0.1394 37 H -1.7868 -1.8464 0.8494 H 1 UNL111111111 0.1373 38 H 4.6571 0.0299 0.9732 H 1 UNL111111111 0.1368 39 H 4.6722 0.0288 -0.7926 H 1 UNL111111111 0.1363 40 H 2.4933 -3.6009 1.5588 H 1 UNL111111111 0.2475 41 H 1.3843 -4.7980 1.6364 H 1 UNL111111111 0.2465 42 H -2.6825 -0.5844 -1.1642 H 1 UNL111111111 0.1379 43 H -2.1438 0.9385 -0.4511 H 1 UNL111111111 0.1382 44 H 3.9721 2.4743 0.9669 H 1 UNL111111111 0.1362 45 H 3.9804 2.4736 -0.7990 H 1 UNL111111111 0.1355 46 H -3.6303 0.5133 1.5683 H 1 UNL111111111 0.1374 47 H -4.1782 -1.0010 0.8415 H 1 UNL111111111 0.1379 48 H 6.4374 1.8276 -0.7868 H 1 UNL111111111 0.1364 49 H 6.4293 1.8289 0.9779 H 1 UNL111111111 0.1366 50 H -4.4995 1.7939 -0.4605 H 1 UNL111111111 0.1527 51 H -5.0555 0.2845 -1.1749 H 1 UNL111111111 0.1539 52 H 5.7498 4.2737 -0.7907 H 1 UNL111111111 0.1334 53 H 5.7459 4.2739 0.9750 H 1 UNL111111111 0.1335 54 H -6.0085 1.3934 1.5679 H 1 UNL111111111 0.1817 55 H -6.5653 -0.1203 0.8534 H 1 UNL111111111 0.1812 56 H 8.2121 3.6710 0.9804 H 1 UNL111111111 0.1424 57 H 7.9202 5.1740 0.0983 H 1 UNL111111111 0.1402 58 H 8.2153 3.6734 -0.7869 H 1 UNL111111111 0.1422 59 H -9.0557 2.2693 0.0696 H 1 UNL111111111 0.3559 @BOND 1 1 22 1 2 1 59 1 3 2 22 2 4 3 6 1 5 3 40 1 6 3 41 1 7 4 5 1 8 4 6 1 9 4 10 1 10 4 23 1 11 5 7 1 12 5 11 1 13 5 24 1 14 6 8 1 15 6 25 1 16 7 9 1 17 7 26 1 18 7 27 1 19 8 9 1 20 8 28 1 21 8 29 1 22 9 30 1 23 9 31 1 24 10 12 1 25 10 32 1 26 10 33 1 27 11 13 1 28 11 34 1 29 11 35 1 30 12 14 1 31 12 36 1 32 12 37 1 33 13 15 1 34 13 38 1 35 13 39 1 36 14 16 1 37 14 42 1 38 14 43 1 39 15 17 1 40 15 44 1 41 15 45 1 42 16 18 1 43 16 46 1 44 16 47 1 45 17 19 1 46 17 48 1 47 17 49 1 48 18 20 1 49 18 50 1 50 18 51 1 51 19 21 1 52 19 52 1 53 19 53 1 54 20 22 1 55 20 54 1 56 20 55 1 57 21 56 1 58 21 57 1 59 21 58 1