@MOLECULE [2-oxo-2-({[(2e,6e)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]oxy}amino)ethyl]phosphonic acid 54 53 0 0 0 SMALL GASTEIGER @ATOM 1 C -9.8495 1.8226 0.8474 C.3 1 UNL1111111111 -0.4579 2 C -8.4012 1.4532 0.8272 C.2 1 UNL1111111111 0.0544 3 C -7.8573 0.9443 2.1220 C.3 1 UNL1111111111 -0.4552 4 C -7.6654 1.5949 -0.2824 C.2 1 UNL1111111111 -0.2368 5 C -6.2195 1.2443 -0.3998 C.3 1 UNL1111111111 -0.2547 6 C -6.0513 0.0773 -1.3923 C.3 1 UNL1111111111 -0.2885 7 C -4.6159 -0.3560 -1.4339 C.2 1 UNL1111111111 0.0394 8 C -3.7060 0.4850 -2.2658 C.3 1 UNL1111111111 -0.4532 9 C -4.2100 -1.4365 -0.7542 C.2 1 UNL1111111111 -0.2357 10 C -2.8037 -1.9355 -0.7215 C.3 1 UNL1111111111 -0.2539 11 C -2.1182 -1.4550 0.5725 C.3 1 UNL1111111111 -0.2824 12 C -0.7068 -1.9548 0.6201 C.2 1 UNL1111111111 0.0535 13 C -0.5370 -3.4044 0.9326 C.3 1 UNL1111111111 -0.4599 14 C 0.3249 -1.1357 0.3776 C.2 1 UNL1111111111 -0.2622 15 C 1.7465 -1.5790 0.3654 C.3 1 UNL1111111111 -0.0910 16 O 2.4638 -0.3791 0.7371 O.3 1 UNL1111111111 -0.1342 17 N 3.8274 -0.6613 0.8395 N.am 1 UNL1111111111 -0.4512 18 C 4.5452 -0.4851 -0.3553 C.2 1 UNL1111111111 0.5990 19 O 4.0126 -0.5005 -1.4404 O.2 1 UNL1111111111 -0.4989 20 C 6.0606 -0.5128 -0.2063 C.3 1 UNL1111111111 -0.3234 21 P 6.7788 1.1251 0.2081 P.3 1 UNL1111111111 0.2951 22 O 6.9858 1.4823 1.6071 O.2 1 UNL1111111111 -0.2898 23 O 8.1010 1.0120 -0.6932 O.3 1 UNL1111111111 -0.4336 24 O 5.9182 2.2756 -0.4893 O.3 1 UNL1111111111 -0.3614 25 H -10.2116 2.1774 -0.1263 H 1 UNL1111111111 0.1506 26 H -10.4749 0.9640 1.1299 H 1 UNL1111111111 0.1546 27 H -10.0415 2.6234 1.5757 H 1 UNL1111111111 0.1552 28 H -7.1974 1.6912 2.5873 H 1 UNL1111111111 0.1573 29 H -8.6443 0.7108 2.8497 H 1 UNL1111111111 0.1489 30 H -7.2681 0.0262 1.9840 H 1 UNL1111111111 0.1579 31 H -8.1039 1.9816 -1.2004 H 1 UNL1111111111 0.1456 32 H -5.6397 2.1246 -0.7451 H 1 UNL1111111111 0.1443 33 H -5.7738 0.9682 0.5753 H 1 UNL1111111111 0.1460 34 H -6.7157 -0.7581 -1.0932 H 1 UNL1111111111 0.1480 35 H -6.3999 0.3788 -2.3992 H 1 UNL1111111111 0.1470 36 H -3.4332 -0.0345 -3.1957 H 1 UNL1111111111 0.1567 37 H -4.1601 1.4426 -2.5521 H 1 UNL1111111111 0.1516 38 H -2.7702 0.7201 -1.7377 H 1 UNL1111111111 0.1594 39 H -4.9076 -2.0201 -0.1570 H 1 UNL1111111111 0.1448 40 H -2.7864 -3.0425 -0.7755 H 1 UNL1111111111 0.1400 41 H -2.2228 -1.5923 -1.6010 H 1 UNL1111111111 0.1483 42 H -2.1608 -0.3480 0.6216 H 1 UNL1111111111 0.1520 43 H -2.6860 -1.8063 1.4571 H 1 UNL1111111111 0.1496 44 H -1.4913 -3.9081 1.1367 H 1 UNL1111111111 0.1556 45 H -0.0621 -3.9413 0.0988 H 1 UNL1111111111 0.1579 46 H 0.0962 -3.5527 1.8203 H 1 UNL1111111111 0.1565 47 H 0.1804 -0.0781 0.1535 H 1 UNL1111111111 0.1680 48 H 1.9738 -2.3816 1.0874 H 1 UNL1111111111 0.1355 49 H 2.0717 -1.8948 -0.6464 H 1 UNL1111111111 0.1556 50 H 4.1334 -0.2450 1.7108 H 1 UNL1111111111 0.3159 51 H 6.3814 -1.2557 0.5835 H 1 UNL1111111111 0.2110 52 H 6.5092 -0.8851 -1.1807 H 1 UNL1111111111 0.2212 53 H 8.7398 1.7688 -0.4570 H 1 UNL1111111111 0.3348 54 H 5.7657 2.0697 -1.4782 H 1 UNL1111111111 0.3126 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 4 2 7 3 28 1 8 3 29 1 9 3 30 1 10 4 5 1 11 4 31 1 12 5 6 1 13 5 32 1 14 5 33 1 15 6 7 1 16 6 34 1 17 6 35 1 18 7 8 1 19 7 9 2 20 8 36 1 21 8 37 1 22 8 38 1 23 9 10 1 24 9 39 1 25 10 11 1 26 10 40 1 27 10 41 1 28 11 12 1 29 11 42 1 30 11 43 1 31 12 13 1 32 12 14 2 33 13 44 1 34 13 45 1 35 13 46 1 36 14 15 1 37 14 47 1 38 15 16 1 39 15 48 1 40 15 49 1 41 16 17 1 42 17 18 am 43 17 50 1 44 18 19 2 45 18 20 1 46 20 21 1 47 20 51 1 48 20 52 1 49 21 22 2 50 21 23 1 51 21 24 1 52 23 53 1 53 24 54 1