@MOLECULE 4-[({1-[(3s)-3-carboxy-4-(methoxymethoxy)butyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9055 2.2857 -1.6973 O.2 1 UNL111111111 -0.5634 2 O -0.5573 -3.0951 -0.3578 O.3 1 UNL111111111 -0.4406 3 O 5.4946 0.2065 0.1289 O.3 1 UNL111111111 -0.5379 4 O 3.7308 0.1287 1.4734 O.2 1 UNL111111111 -0.5606 5 O 1.0891 -0.3001 1.7094 O.3 1 UNL111111111 -0.6239 6 O 1.6250 -2.4523 1.7374 O.2 1 UNL111111111 -0.5119 7 O -2.0262 -4.6478 -1.2511 O.3 1 UNL111111111 -0.4268 8 N -0.0460 1.6502 -0.6037 N.am 1 UNL111111111 -0.6238 9 C -2.2367 1.6036 0.5929 C.3 1 UNL111111111 -0.0154 10 C -3.6846 1.2763 0.1565 C.3 1 UNL111111111 -0.2620 11 C -2.3150 2.9575 1.3529 C.3 1 UNL111111111 -0.2752 12 C -1.6699 0.5070 1.5029 C.3 1 UNL111111111 -0.3039 13 C -4.4052 2.6313 0.1035 C.3 1 UNL111111111 -0.2648 14 C -3.7601 3.4716 1.2166 C.3 1 UNL111111111 -0.2612 15 C -1.4086 1.8546 -0.6728 C.2 1 UNL111111111 0.5673 16 C 0.8109 1.9104 -1.7652 C.3 1 UNL111111111 0.1052 17 C -1.4783 -0.8224 0.7689 C.3 1 UNL111111111 -0.2584 18 C 1.4494 0.6064 -2.2933 C.3 1 UNL111111111 -0.2988 19 C 1.9219 2.9095 -1.3730 C.3 1 UNL111111111 -0.2937 20 C 3.4673 0.9907 -0.8002 C.3 1 UNL111111111 -0.1744 21 C 2.4160 -0.0194 -1.2862 C.3 1 UNL111111111 -0.2714 22 C 2.8547 2.3175 -0.3167 C.3 1 UNL111111111 -0.2641 23 C -0.7252 -1.8557 1.6164 C.3 1 UNL111111111 -0.1929 24 C -0.9390 -3.2536 1.0038 C.3 1 UNL111111111 -0.0313 25 C 4.1838 0.3960 0.3821 C.2 1 UNL111111111 0.6509 26 C 0.7637 -1.6130 1.6828 C.2 1 UNL111111111 0.6496 27 C -0.6845 -4.2533 -1.1368 C.3 1 UNL111111111 0.1820 28 C -2.8548 -3.7018 -1.9037 C.3 1 UNL111111111 -0.1840 29 H -3.7126 0.7664 -0.8208 H 1 UNL111111111 0.1493 30 H -4.1708 0.6037 0.8816 H 1 UNL111111111 0.1344 31 H -2.0378 2.8393 2.4121 H 1 UNL111111111 0.1397 32 H -1.6009 3.6884 0.9353 H 1 UNL111111111 0.1446 33 H -0.7147 0.8463 1.9555 H 1 UNL111111111 0.1678 34 H -2.3523 0.3635 2.3653 H 1 UNL111111111 0.1498 35 H -4.2383 3.1060 -0.8836 H 1 UNL111111111 0.1585 36 H -5.4913 2.5316 0.2306 H 1 UNL111111111 0.1276 37 H -4.3087 3.3489 2.1650 H 1 UNL111111111 0.1298 38 H -3.7871 4.5459 0.9768 H 1 UNL111111111 0.1345 39 H 0.1815 2.3635 -2.5828 H 1 UNL111111111 0.1661 40 H -2.4684 -1.2309 0.4796 H 1 UNL111111111 0.1491 41 H -0.9454 -0.6801 -0.1940 H 1 UNL111111111 0.1640 42 H 0.3902 1.1772 0.1780 H 1 UNL111111111 0.3325 43 H 1.9716 0.8217 -3.2441 H 1 UNL111111111 0.1448 44 H 0.6506 -0.1201 -2.5427 H 1 UNL111111111 0.1534 45 H 2.4902 3.1965 -2.2766 H 1 UNL111111111 0.1423 46 H 1.4627 3.8422 -0.9915 H 1 UNL111111111 0.1519 47 H 4.1860 1.1978 -1.6340 H 1 UNL111111111 0.1775 48 H 2.9182 -0.8954 -1.7441 H 1 UNL111111111 0.1487 49 H 1.8419 -0.4340 -0.4327 H 1 UNL111111111 0.1616 50 H 3.6590 3.0399 -0.0767 H 1 UNL111111111 0.1419 51 H 2.2995 2.1647 0.6325 H 1 UNL111111111 0.1577 52 H -1.1194 -1.8485 2.6649 H 1 UNL111111111 0.1745 53 H -0.2956 -4.0186 1.4774 H 1 UNL111111111 0.1398 54 H -1.9954 -3.5694 1.0560 H 1 UNL111111111 0.1347 55 H 5.9965 -0.1979 0.8848 H 1 UNL111111111 0.3612 56 H 2.0835 -0.1315 1.7307 H 1 UNL111111111 0.3967 57 H -0.2010 -5.1323 -0.6765 H 1 UNL111111111 0.1277 58 H -0.2479 -3.9473 -2.1035 H 1 UNL111111111 0.1262 59 H -3.8612 -4.1178 -1.7787 H 1 UNL111111111 0.1388 60 H -2.5936 -3.6411 -2.9647 H 1 UNL111111111 0.1214 61 H -2.7814 -2.7176 -1.4278 H 1 UNL111111111 0.1370 @BOND 1 1 15 2 2 2 24 1 3 2 27 1 4 3 25 1 5 3 55 1 6 4 25 2 7 5 26 1 8 5 56 1 9 6 26 2 10 7 27 1 11 7 28 1 12 8 15 am 13 8 16 1 14 8 42 1 15 9 10 1 16 9 11 1 17 9 12 1 18 9 15 1 19 10 13 1 20 10 29 1 21 10 30 1 22 11 14 1 23 11 31 1 24 11 32 1 25 12 17 1 26 12 33 1 27 12 34 1 28 13 14 1 29 13 35 1 30 13 36 1 31 14 37 1 32 14 38 1 33 16 18 1 34 16 19 1 35 16 39 1 36 17 23 1 37 17 40 1 38 17 41 1 39 18 21 1 40 18 43 1 41 18 44 1 42 19 22 1 43 19 45 1 44 19 46 1 45 20 21 1 46 20 22 1 47 20 25 1 48 20 47 1 49 21 48 1 50 21 49 1 51 22 50 1 52 22 51 1 53 23 24 1 54 23 26 1 55 23 52 1 56 24 53 1 57 24 54 1 58 27 57 1 59 27 58 1 60 28 59 1 61 28 60 1 62 28 61 1