@MOLECULE 4-({(1r,2s,3s,4r)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2r,3r)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]cyclohexyl}oxy)-4-oxobutanoic acid 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.2509 1.1880 -2.4757 Cl 1 UNL1111111111 -0.1744 2 O 0.8117 -1.3872 2.1234 O.3 1 UNL1111111111 -0.3580 3 O 2.0728 2.2058 0.1955 O.3 1 UNL1111111111 -0.5625 4 O -1.3459 0.6775 2.0236 O.3 1 UNL1111111111 -0.3833 5 O -2.0684 1.2016 -0.4545 O.3 1 UNL1111111111 -0.4449 6 O -4.0076 1.6935 0.5927 O.2 1 UNL1111111111 -0.5074 7 O -6.9482 -2.2025 -0.6628 O.3 1 UNL1111111111 -0.5648 8 O -5.0826 -2.5804 -1.8202 O.2 1 UNL1111111111 -0.5131 9 C 1.4278 -0.2728 1.4645 C.3 1 UNL1111111111 0.1744 10 C 0.5098 0.4764 0.5141 C.3 1 UNL1111111111 -0.2127 11 C 1.7764 -1.6964 1.1166 C.3 1 UNL1111111111 -0.0176 12 C 1.3232 1.2663 -0.5456 C.3 1 UNL1111111111 0.2943 13 C -0.4316 1.4437 1.2627 C.3 1 UNL1111111111 0.0810 14 C 0.3932 1.9943 -1.5307 C.3 1 UNL1111111111 -0.3255 15 C -1.3470 2.2035 0.2683 C.3 1 UNL1111111111 0.1021 16 C 2.3490 0.5415 2.3255 C.3 1 UNL1111111111 -0.4554 17 C -0.5302 2.9557 -0.7802 C.3 1 UNL1111111111 -0.2939 18 C 3.0540 -2.3493 1.5911 C.3 1 UNL1111111111 -0.2848 19 C 2.2811 0.3135 -1.2708 C.3 1 UNL1111111111 -0.2575 20 C 4.2325 -1.7496 0.8944 C.2 1 UNL1111111111 -0.2346 21 C -1.0897 0.6558 3.4145 C.3 1 UNL1111111111 -0.1973 22 C 4.6179 -2.0304 -0.3578 C.2 1 UNL1111111111 0.0580 23 C -3.3445 0.9427 -0.0718 C.2 1 UNL1111111111 0.6291 24 C -3.7638 -0.3724 -0.6607 C.3 1 UNL1111111111 -0.3384 25 C 3.9408 -3.0111 -1.2550 C.3 1 UNL1111111111 -0.4583 26 C 5.7946 -1.3422 -0.9720 C.3 1 UNL1111111111 -0.4644 27 C -5.2333 -0.6392 -0.3539 C.3 1 UNL1111111111 -0.3308 28 C -5.6797 -1.8895 -1.0374 C.2 1 UNL1111111111 0.6492 29 H -0.1466 -0.2646 -0.0166 H 1 UNL1111111111 0.1828 30 H 1.3415 -2.1503 0.2206 H 1 UNL1111111111 0.1442 31 H 0.1412 2.1651 1.8823 H 1 UNL1111111111 0.1429 32 H -0.2088 1.2546 -2.0965 H 1 UNL1111111111 0.1679 33 H 0.9719 2.5528 -2.2898 H 1 UNL1111111111 0.1551 34 H -2.0527 2.8693 0.8135 H 1 UNL1111111111 0.1570 35 H 2.6728 -0.0133 3.2159 H 1 UNL1111111111 0.1583 36 H 1.8832 1.4756 2.6677 H 1 UNL1111111111 0.1623 37 H 3.2478 0.8380 1.7615 H 1 UNL1111111111 0.1715 38 H 0.0602 3.7533 -0.2863 H 1 UNL1111111111 0.1566 39 H -1.2083 3.4643 -1.4933 H 1 UNL1111111111 0.1547 40 H 3.1497 -2.2388 2.6935 H 1 UNL1111111111 0.1615 41 H 3.0055 -3.4470 1.4278 H 1 UNL1111111111 0.1550 42 H 1.7529 -0.4884 -1.8067 H 1 UNL1111111111 0.1629 43 H 3.0165 -0.1307 -0.5702 H 1 UNL1111111111 0.1914 44 H 2.5288 2.8428 -0.3922 H 1 UNL1111111111 0.3262 45 H 4.7811 -1.0243 1.4942 H 1 UNL1111111111 0.1498 46 H -0.1210 0.1916 3.6303 H 1 UNL1111111111 0.1396 47 H -1.1563 1.6602 3.8409 H 1 UNL1111111111 0.1180 48 H -1.9009 0.0213 3.7960 H 1 UNL1111111111 0.1486 49 H -3.1161 -1.1837 -0.2504 H 1 UNL1111111111 0.1965 50 H -3.5680 -0.3899 -1.7569 H 1 UNL1111111111 0.1923 51 H 3.0603 -3.4807 -0.7985 H 1 UNL1111111111 0.1552 52 H 4.6272 -3.8250 -1.5340 H 1 UNL1111111111 0.1582 53 H 3.6114 -2.5364 -2.1906 H 1 UNL1111111111 0.1564 54 H 5.5020 -0.7748 -1.8683 H 1 UNL1111111111 0.1632 55 H 6.2800 -0.6317 -0.2903 H 1 UNL1111111111 0.1534 56 H 6.5615 -2.0645 -1.2843 H 1 UNL1111111111 0.1564 57 H -5.8739 0.2196 -0.6657 H 1 UNL1111111111 0.1973 58 H -5.4055 -0.7081 0.7468 H 1 UNL1111111111 0.2002 59 H -7.2967 -3.0238 -1.0873 H 1 UNL1111111111 0.3561 @BOND 1 1 19 1 2 2 9 1 3 2 11 1 4 3 12 1 5 3 44 1 6 4 13 1 7 4 21 1 8 5 15 1 9 5 23 1 10 6 23 2 11 7 28 1 12 7 59 1 13 8 28 2 14 9 10 1 15 9 11 1 16 9 16 1 17 10 12 1 18 10 13 1 19 10 29 1 20 11 18 1 21 11 30 1 22 12 14 1 23 12 19 1 24 13 15 1 25 13 31 1 26 14 17 1 27 14 32 1 28 14 33 1 29 15 17 1 30 15 34 1 31 16 35 1 32 16 36 1 33 16 37 1 34 17 38 1 35 17 39 1 36 18 20 1 37 18 40 1 38 18 41 1 39 19 42 1 40 19 43 1 41 20 22 2 42 20 45 1 43 21 46 1 44 21 47 1 45 21 48 1 46 22 25 1 47 22 26 1 48 23 24 1 49 24 27 1 50 24 49 1 51 24 50 1 52 25 51 1 53 25 52 1 54 25 53 1 55 26 54 1 56 26 55 1 57 26 56 1 58 27 28 1 59 27 57 1 60 27 58 1