@MOLECULE (2r)-3-(phosphonooxy)-2-{[(2z,6e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}propanoic acid 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.6577 1.3358 -1.7860 P.3 1 UNL111111111 0.3272 2 C 2.3918 -1.5634 1.7647 C.3 1 UNL111111111 -0.0483 3 C 2.3651 -2.7513 0.8605 C.2 1 UNL111111111 -0.2741 4 C 1.2384 -3.3178 0.4047 C.2 1 UNL111111111 0.0948 5 C 1.2851 -4.4827 -0.5292 C.3 1 UNL111111111 -0.4701 6 C -0.1381 -2.8592 0.7744 C.3 1 UNL111111111 -0.2937 7 C -0.6280 -1.7840 -0.2151 C.3 1 UNL111111111 -0.2572 8 C -1.9479 -1.2532 0.2352 C.2 1 UNL111111111 -0.2325 9 C -3.1345 -1.6957 -0.2017 C.2 1 UNL111111111 0.0334 10 C -3.2818 -2.7869 -1.2090 C.3 1 UNL111111111 -0.4513 11 C 1.1275 1.6221 0.4267 C.3 1 UNL111111111 0.0101 12 O 1.3210 1.1585 -0.8945 O.3 1 UNL111111111 -0.3442 13 C 1.8586 0.7627 1.4970 C.3 1 UNL111111111 -0.0302 14 O 2.0485 -0.4869 0.8819 O.3 1 UNL111111111 -0.3565 15 C 3.2078 1.3483 1.8757 C.2 1 UNL111111111 0.6054 16 C -4.4095 -1.0853 0.2995 C.3 1 UNL111111111 -0.2865 17 C -5.0022 -0.1537 -0.7761 C.3 1 UNL111111111 -0.2556 18 C -6.1267 0.6383 -0.1951 C.2 1 UNL111111111 -0.2381 19 C -5.9914 1.8639 0.3293 C.2 1 UNL111111111 0.0555 20 C -4.6880 2.5909 0.3874 C.3 1 UNL111111111 -0.4565 21 C -7.1614 2.6027 0.8931 C.3 1 UNL111111111 -0.4578 22 O 2.8425 2.5905 -2.4841 O.2 1 UNL111111111 -0.1720 23 O 3.0666 2.6531 2.2224 O.3 1 UNL111111111 -0.5711 24 O 3.9004 0.9639 -0.8746 O.3 1 UNL111111111 -0.3519 25 O 4.2708 0.7942 1.9480 O.2 1 UNL111111111 -0.4995 26 O 2.3801 0.1007 -2.7557 O.3 1 UNL111111111 -0.3035 27 H 1.6555 -1.6257 2.5856 H 1 UNL111111111 0.1189 28 H 3.3967 -1.3742 2.1892 H 1 UNL111111111 0.1443 29 H 3.3452 -3.1142 0.5605 H 1 UNL111111111 0.1577 30 H 0.8776 -5.3873 -0.0552 H 1 UNL111111111 0.1600 31 H 0.6860 -4.2930 -1.4319 H 1 UNL111111111 0.1615 32 H 2.3031 -4.7254 -0.8621 H 1 UNL111111111 0.1581 33 H -0.8523 -3.7062 0.7852 H 1 UNL111111111 0.1444 34 H -0.1609 -2.4500 1.8046 H 1 UNL111111111 0.1489 35 H 0.1186 -0.9583 -0.2712 H 1 UNL111111111 0.1772 36 H -0.6791 -2.2006 -1.2386 H 1 UNL111111111 0.1382 37 H -1.8828 -0.4568 0.9731 H 1 UNL111111111 0.1417 38 H -2.7242 -3.6861 -0.9119 H 1 UNL111111111 0.1532 39 H -4.3265 -3.0896 -1.3563 H 1 UNL111111111 0.1514 40 H -2.8965 -2.4724 -2.1906 H 1 UNL111111111 0.1588 41 H 1.3478 2.7004 0.5694 H 1 UNL111111111 0.1515 42 H 0.0248 1.4632 0.5097 H 1 UNL111111111 0.1458 43 H 1.2300 0.6739 2.4136 H 1 UNL111111111 0.1506 44 H -5.1439 -1.8687 0.5697 H 1 UNL111111111 0.1472 45 H -4.2428 -0.5124 1.2336 H 1 UNL111111111 0.1461 46 H -4.2070 0.5050 -1.1807 H 1 UNL111111111 0.1488 47 H -5.3513 -0.7504 -1.6421 H 1 UNL111111111 0.1416 48 H -7.0906 0.1359 -0.2159 H 1 UNL111111111 0.1462 49 H -4.3791 2.9221 -0.6158 H 1 UNL111111111 0.1602 50 H -4.7285 3.4831 1.0240 H 1 UNL111111111 0.1487 51 H -3.8849 1.9499 0.7784 H 1 UNL111111111 0.1566 52 H -7.0136 2.8251 1.9592 H 1 UNL111111111 0.1544 53 H -7.3104 3.5611 0.3751 H 1 UNL111111111 0.1564 54 H -8.1008 2.0414 0.8086 H 1 UNL111111111 0.1515 55 H 3.9240 3.1097 2.4087 H 1 UNL111111111 0.3621 56 H 3.7078 0.1193 -0.3198 H 1 UNL111111111 0.3313 57 H 1.9116 -0.6446 -2.2229 H 1 UNL111111111 0.3107 @BOND 1 1 12 1 2 1 22 2 3 1 24 1 4 1 26 1 5 2 3 1 6 2 14 1 7 2 27 1 8 2 28 1 9 3 4 2 10 3 29 1 11 4 5 1 12 4 6 1 13 5 30 1 14 5 31 1 15 5 32 1 16 6 7 1 17 6 33 1 18 6 34 1 19 7 8 1 20 7 35 1 21 7 36 1 22 8 9 2 23 8 37 1 24 9 10 1 25 9 16 1 26 10 38 1 27 10 39 1 28 10 40 1 29 11 12 1 30 11 13 1 31 11 41 1 32 11 42 1 33 13 14 1 34 13 15 1 35 13 43 1 36 15 23 1 37 15 25 2 38 16 17 1 39 16 44 1 40 16 45 1 41 17 18 1 42 17 46 1 43 17 47 1 44 18 19 2 45 18 48 1 46 19 20 1 47 19 21 1 48 20 49 1 49 20 50 1 50 20 51 1 51 21 52 1 52 21 53 1 53 21 54 1 54 23 55 1 55 24 56 1 56 26 57 1