@MOLECULE amsilarotene 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 SI 3.2245 3.0205 0.0822 Si 1 UNL1111111111 0.2504 2 SI 4.1103 -2.5744 -0.3368 Si 1 UNL1111111111 0.2515 3 O -1.0096 -1.3294 1.5512 O.2 1 UNL1111111111 -0.4736 4 O -7.7545 0.5012 -1.1570 O.3 1 UNL1111111111 -0.5685 5 O -7.8993 -0.7490 0.6759 O.2 1 UNL1111111111 -0.5137 6 N -1.5449 0.1186 -0.1384 N.am 1 UNL1111111111 -0.5787 7 C 2.6106 1.2769 0.1146 C.ar 1 UNL1111111111 -0.1044 8 C 2.9937 -1.1259 -0.0682 C.ar 1 UNL1111111111 -0.1080 9 C 3.4692 0.1913 -0.1129 C.ar 1 UNL1111111111 -0.0908 10 C 5.0440 3.0772 -0.3374 C.3 1 UNL1111111111 -0.5421 11 C 2.2606 3.9689 -1.2076 C.3 1 UNL1111111111 -0.5380 12 C 2.9512 3.7725 1.7694 C.3 1 UNL1111111111 -0.5337 13 C 3.4741 -3.5542 -1.7940 C.3 1 UNL1111111111 -0.5362 14 C 4.0872 -3.6270 1.2052 C.3 1 UNL1111111111 -0.5333 15 C 5.8583 -2.0114 -0.6809 C.3 1 UNL1111111111 -0.5426 16 C 1.2597 1.0387 0.3777 C.ar 1 UNL1111111111 -0.1077 17 C 1.6403 -1.3568 0.1964 C.ar 1 UNL1111111111 -0.0772 18 C 0.7866 -0.2735 0.4025 C.ar 1 UNL1111111111 -0.1673 19 C -0.6416 -0.5641 0.6939 C.2 1 UNL1111111111 0.5906 20 C -2.9452 0.0143 -0.0919 C.ar 1 UNL1111111111 0.2900 21 C -3.6315 -0.7112 0.8950 C.ar 1 UNL1111111111 -0.2626 22 C -3.6667 0.6938 -1.0979 C.ar 1 UNL1111111111 -0.3075 23 C -5.0179 -0.7591 0.8688 C.ar 1 UNL1111111111 -0.0182 24 C -5.0516 0.6366 -1.1129 C.ar 1 UNL1111111111 -0.0069 25 C -5.7320 -0.0902 -0.1314 C.ar 1 UNL1111111111 -0.2203 26 C -7.1918 -0.1762 -0.1149 C.2 1 UNL1111111111 0.6561 27 H 4.5318 0.3764 -0.3258 H 1 UNL1111111111 0.1573 28 H 5.6525 2.5373 0.4102 H 1 UNL1111111111 0.1627 29 H 5.4112 4.1195 -0.3662 H 1 UNL1111111111 0.1641 30 H 5.2492 2.6304 -1.3264 H 1 UNL1111111111 0.1612 31 H 2.3755 3.5170 -2.2093 H 1 UNL1111111111 0.1620 32 H 2.6093 5.0152 -1.2758 H 1 UNL1111111111 0.1622 33 H 1.1814 3.9958 -0.9763 H 1 UNL1111111111 0.1600 34 H 1.8831 3.7669 2.0526 H 1 UNL1111111111 0.1636 35 H 3.2980 4.8206 1.8039 H 1 UNL1111111111 0.1614 36 H 3.5008 3.2150 2.5502 H 1 UNL1111111111 0.1654 37 H 4.1091 -4.4364 -1.9919 H 1 UNL1111111111 0.1618 38 H 2.4451 -3.9192 -1.6241 H 1 UNL1111111111 0.1641 39 H 3.4600 -2.9433 -2.7146 H 1 UNL1111111111 0.1617 40 H 4.7309 -4.5176 1.0945 H 1 UNL1111111111 0.1613 41 H 4.4490 -3.0608 2.0829 H 1 UNL1111111111 0.1644 42 H 3.0672 -3.9816 1.4423 H 1 UNL1111111111 0.1665 43 H 6.2704 -1.4236 0.1585 H 1 UNL1111111111 0.1615 44 H 6.5296 -2.8760 -0.8351 H 1 UNL1111111111 0.1638 45 H 5.9149 -1.3876 -1.5904 H 1 UNL1111111111 0.1601 46 H 0.5520 1.8479 0.5825 H 1 UNL1111111111 0.1561 47 H 1.2114 -2.3647 0.2590 H 1 UNL1111111111 0.1677 48 H -1.1580 0.7086 -0.8730 H 1 UNL1111111111 0.3172 49 H -3.0903 -1.2394 1.6841 H 1 UNL1111111111 0.2057 50 H -3.1430 1.2591 -1.8631 H 1 UNL1111111111 0.1606 51 H -5.5620 -1.3231 1.6347 H 1 UNL1111111111 0.1748 52 H -5.6140 1.1590 -1.8924 H 1 UNL1111111111 0.1703 53 H -8.7412 0.4520 -1.1601 H 1 UNL1111111111 0.3549 @BOND 1 1 7 1 2 1 10 1 3 1 11 1 4 1 12 1 5 2 8 1 6 2 13 1 7 2 14 1 8 2 15 1 9 3 19 2 10 4 26 1 11 4 53 1 12 5 26 2 13 6 19 am 14 6 20 1 15 6 48 1 16 7 9 ar 17 7 16 ar 18 8 9 ar 19 8 17 ar 20 9 27 1 21 10 28 1 22 10 29 1 23 10 30 1 24 11 31 1 25 11 32 1 26 11 33 1 27 12 34 1 28 12 35 1 29 12 36 1 30 13 37 1 31 13 38 1 32 13 39 1 33 14 40 1 34 14 41 1 35 14 42 1 36 15 43 1 37 15 44 1 38 15 45 1 39 16 18 ar 40 16 46 1 41 17 18 ar 42 17 47 1 43 18 19 1 44 20 21 ar 45 20 22 ar 46 21 23 ar 47 21 49 1 48 22 24 ar 49 22 50 1 50 23 25 ar 51 23 51 1 52 24 25 ar 53 24 52 1 54 25 26 1