@MOLECULE (1s,2r,5s)-2-isopropyl-5-methylcyclohexyl hydrogen (s)-hexylphosphonate 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.8887 -1.4869 0.3172 C.3 1 UNL1111111111 -0.1445 2 C 2.6452 -0.1511 0.5312 C.3 1 UNL1111111111 -0.2296 3 C 3.9743 -0.2315 -0.2382 C.3 1 UNL1111111111 -0.2809 4 C 4.7902 1.0501 -0.0310 C.3 1 UNL1111111111 -0.2706 5 C 6.0943 0.9997 -0.8377 C.3 1 UNL1111111111 -0.2573 6 C 6.9225 2.2644 -0.6124 C.3 1 UNL1111111111 -0.4416 7 C -1.8509 -0.0929 0.2997 C.3 1 UNL1111111111 0.1499 8 C -1.9756 1.0082 1.3668 C.3 1 UNL1111111111 -0.3371 9 C -3.3648 1.6613 1.3011 C.3 1 UNL1111111111 -0.0680 10 C -3.6131 2.2330 -0.1051 C.3 1 UNL1111111111 -0.2904 11 C -3.4904 1.1215 -1.1529 C.3 1 UNL1111111111 -0.2777 12 C -2.0865 0.4967 -1.1199 C.3 1 UNL1111111111 -0.1527 13 C -3.4684 2.7716 2.3521 C.3 1 UNL1111111111 -0.4589 14 C -1.8788 -0.5627 -2.2243 C.3 1 UNL1111111111 -0.0684 15 C -2.9000 -1.7034 -2.1670 C.3 1 UNL1111111111 -0.4490 16 C -1.9141 0.0987 -3.6112 C.3 1 UNL1111111111 -0.4583 17 O -0.4758 -0.5066 0.2007 O.3 1 UNL1111111111 -0.3373 18 O -0.0045 -1.5665 2.5443 O.2 1 UNL1111111111 -0.3385 19 P 0.2382 -1.6257 1.1006 P.3 1 UNL1111111111 0.2174 20 H 1.7636 -1.6676 -0.7936 H 1 UNL1111111111 0.1858 21 H 2.5146 -2.3420 0.7172 H 1 UNL1111111111 0.1822 22 H 2.8487 0.0469 1.6041 H 1 UNL1111111111 0.1504 23 H 2.0628 0.7222 0.1682 H 1 UNL1111111111 0.1559 24 H 4.5595 -1.1079 0.0961 H 1 UNL1111111111 0.1348 25 H 3.7808 -0.3851 -1.3166 H 1 UNL1111111111 0.1371 26 H 5.0154 1.1892 1.0432 H 1 UNL1111111111 0.1381 27 H 4.1968 1.9339 -0.3318 H 1 UNL1111111111 0.1380 28 H 6.6842 0.1080 -0.5535 H 1 UNL1111111111 0.1333 29 H 5.8694 0.8828 -1.9148 H 1 UNL1111111111 0.1329 30 H 7.8376 2.2530 -1.2145 H 1 UNL1111111111 0.1410 31 H 6.3615 3.1656 -0.8835 H 1 UNL1111111111 0.1431 32 H 7.2197 2.3663 0.4376 H 1 UNL1111111111 0.1433 33 H -2.5567 -0.9268 0.4990 H 1 UNL1111111111 0.1200 34 H -1.1820 1.7644 1.2212 H 1 UNL1111111111 0.1518 35 H -1.8049 0.5917 2.3794 H 1 UNL1111111111 0.1629 36 H -4.1389 0.8861 1.5166 H 1 UNL1111111111 0.1300 37 H -2.8923 3.0425 -0.3210 H 1 UNL1111111111 0.1387 38 H -4.6139 2.6972 -0.1572 H 1 UNL1111111111 0.1318 39 H -4.2597 0.3473 -0.9757 H 1 UNL1111111111 0.1388 40 H -3.6981 1.5279 -2.1594 H 1 UNL1111111111 0.1358 41 H -1.3275 1.3018 -1.2807 H 1 UNL1111111111 0.1457 42 H -2.7230 3.5561 2.1825 H 1 UNL1111111111 0.1437 43 H -4.4557 3.2444 2.3371 H 1 UNL1111111111 0.1397 44 H -3.3059 2.3774 3.3618 H 1 UNL1111111111 0.1464 45 H -0.8572 -1.0021 -2.0853 H 1 UNL1111111111 0.1514 46 H -3.9223 -1.3449 -2.3165 H 1 UNL1111111111 0.1380 47 H -2.6940 -2.4475 -2.9446 H 1 UNL1111111111 0.1395 48 H -2.8614 -2.2251 -1.2043 H 1 UNL1111111111 0.1465 49 H -2.9159 0.4595 -3.8631 H 1 UNL1111111111 0.1404 50 H -1.6178 -0.6114 -4.3900 H 1 UNL1111111111 0.1391 51 H -1.2300 0.9516 -3.6640 H 1 UNL1111111111 0.1399 52 O -0.2287 -3.0250 0.4490 O.3 1 UNL1111111111 -0.4253 53 H -1.0132 -3.4010 0.9699 H 1 UNL1111111111 0.3228 @BOND 1 1 2 1 2 1 19 1 3 1 20 1 4 1 21 1 5 2 3 1 6 2 22 1 7 2 23 1 8 3 4 1 9 3 24 1 10 3 25 1 11 4 5 1 12 4 26 1 13 4 27 1 14 5 6 1 15 5 28 1 16 5 29 1 17 6 30 1 18 6 31 1 19 6 32 1 20 7 8 1 21 7 12 1 22 7 17 1 23 7 33 1 24 8 9 1 25 8 34 1 26 8 35 1 27 9 10 1 28 9 13 1 29 9 36 1 30 10 11 1 31 10 37 1 32 10 38 1 33 11 12 1 34 11 39 1 35 11 40 1 36 12 14 1 37 12 41 1 38 13 42 1 39 13 43 1 40 13 44 1 41 14 15 1 42 14 16 1 43 14 45 1 44 15 46 1 45 15 47 1 46 15 48 1 47 16 49 1 48 16 50 1 49 16 51 1 50 17 19 1 51 18 19 2 52 52 19 1 53 52 53 1