@MOLECULE methyl hydrogen 6,6'-diapocarotene-6,6'-dioate 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -11.2383 1.8546 0.2684 O.3 1 UNL1111111111 -0.4044 2 O -11.0712 -0.0445 -0.9222 O.2 1 UNL1111111111 -0.5090 3 O 12.6959 0.9989 -0.1174 O.3 1 UNL1111111111 -0.5556 4 O 11.9038 -0.7090 1.0734 O.2 1 UNL1111111111 -0.5126 5 C -2.4025 -2.0010 -0.3494 C.2 1 UNL1111111111 0.0361 6 C 3.0922 0.5877 0.3004 C.2 1 UNL1111111111 0.0319 7 C -1.5661 -0.9700 -0.1190 C.2 1 UNL1111111111 -0.2102 8 C -3.8029 -1.7900 -0.7132 C.2 1 UNL1111111111 -0.1624 9 C 2.1095 -0.3036 0.5406 C.2 1 UNL1111111111 -0.2051 10 C 4.4649 0.2638 0.6915 C.2 1 UNL1111111111 -0.1546 11 C -6.9510 -0.2874 0.4352 C.2 1 UNL1111111111 0.0085 12 C -0.1703 -1.1289 0.2417 C.2 1 UNL1111111111 -0.1444 13 C 0.7176 -0.1185 0.1779 C.2 1 UNL1111111111 -0.1495 14 C -1.9833 -3.4321 -0.2757 C.3 1 UNL1111111111 -0.4518 15 C -4.6128 -0.9486 -0.0494 C.2 1 UNL1111111111 -0.1513 16 C 2.8666 1.9018 -0.3682 C.3 1 UNL1111111111 -0.4500 17 C -6.0174 -0.8050 -0.3884 C.2 1 UNL1111111111 -0.1733 18 C 7.9607 0.3070 -0.4971 C.2 1 UNL1111111111 0.0004 19 C 5.5282 0.5210 -0.0892 C.2 1 UNL1111111111 -0.1574 20 C 6.8815 0.1689 0.2994 C.2 1 UNL1111111111 -0.1688 21 C -6.6635 0.2085 1.8108 C.3 1 UNL1111111111 -0.4463 22 C -8.3387 -0.2019 -0.0245 C.2 1 UNL1111111111 -0.0455 23 C 7.9015 0.8175 -1.8963 C.3 1 UNL1111111111 -0.4465 24 C 9.2813 -0.0525 0.0228 C.2 1 UNL1111111111 -0.0376 25 C -9.1836 0.7806 0.3196 C.2 1 UNL1111111111 -0.2929 26 C 10.4025 0.6284 -0.2582 C.2 1 UNL1111111111 -0.2934 27 C -10.5585 0.7708 -0.1951 C.2 1 UNL1111111111 0.5989 28 C 11.6802 0.2032 0.3166 C.2 1 UNL1111111111 0.6444 29 C -12.5926 1.9652 -0.1576 C.3 1 UNL1111111111 -0.1700 30 H -4.1603 -2.3923 -1.5514 H 1 UNL1111111111 0.1574 31 H -1.9228 0.0584 -0.2109 H 1 UNL1111111111 0.1560 32 H 2.3449 -1.2523 1.0314 H 1 UNL1111111111 0.1535 33 H 4.5716 -0.2271 1.6607 H 1 UNL1111111111 0.1562 34 H 0.1376 -2.1237 0.5692 H 1 UNL1111111111 0.1494 35 H -4.2423 -0.3545 0.7880 H 1 UNL1111111111 0.1565 36 H 0.4202 0.8753 -0.1572 H 1 UNL1111111111 0.1503 37 H -1.2301 -3.6662 -1.0432 H 1 UNL1111111111 0.1627 38 H -2.8198 -4.1291 -0.4197 H 1 UNL1111111111 0.1548 39 H -1.5390 -3.6702 0.7024 H 1 UNL1111111111 0.1610 40 H -6.2977 -1.1575 -1.3859 H 1 UNL1111111111 0.1576 41 H 1.9901 2.4228 0.0446 H 1 UNL1111111111 0.1605 42 H 3.7195 2.5850 -0.2545 H 1 UNL1111111111 0.1562 43 H 2.6902 1.7727 -1.4469 H 1 UNL1111111111 0.1614 44 H 5.4045 1.0044 -1.0602 H 1 UNL1111111111 0.1547 45 H 6.9948 -0.2226 1.3153 H 1 UNL1111111111 0.1572 46 H -5.8453 -0.3449 2.2939 H 1 UNL1111111111 0.1601 47 H -7.5339 0.1181 2.4769 H 1 UNL1111111111 0.1609 48 H -6.3738 1.2707 1.7944 H 1 UNL1111111111 0.1629 49 H -8.6680 -1.0091 -0.6960 H 1 UNL1111111111 0.1726 50 H 8.7740 0.5134 -2.4929 H 1 UNL1111111111 0.1614 51 H 7.8618 1.9176 -1.9149 H 1 UNL1111111111 0.1625 52 H 7.0154 0.4502 -2.4346 H 1 UNL1111111111 0.1605 53 H 9.3096 -0.9293 0.6866 H 1 UNL1111111111 0.1724 54 H -8.9153 1.6121 0.9695 H 1 UNL1111111111 0.1846 55 H 10.4329 1.5087 -0.9005 H 1 UNL1111111111 0.1890 56 H -12.6415 2.0440 -1.2491 H 1 UNL1111111111 0.1407 57 H -13.1697 1.1005 0.1872 H 1 UNL1111111111 0.1404 58 H -12.9284 2.8894 0.3262 H 1 UNL1111111111 0.1451 59 H 13.5763 0.7413 0.2515 H 1 UNL1111111111 0.3537 @BOND 1 1 27 1 2 1 29 1 3 2 27 2 4 3 28 1 5 3 59 1 6 4 28 2 7 5 7 2 8 5 8 1 9 5 14 1 10 6 9 2 11 6 10 1 12 6 16 1 13 7 12 1 14 7 31 1 15 8 15 2 16 8 30 1 17 9 13 1 18 9 32 1 19 10 19 2 20 10 33 1 21 11 17 2 22 11 21 1 23 11 22 1 24 12 13 2 25 12 34 1 26 13 36 1 27 14 37 1 28 14 38 1 29 14 39 1 30 15 17 1 31 15 35 1 32 16 41 1 33 16 42 1 34 16 43 1 35 17 40 1 36 18 20 2 37 18 23 1 38 18 24 1 39 19 20 1 40 19 44 1 41 20 45 1 42 21 46 1 43 21 47 1 44 21 48 1 45 22 25 2 46 22 49 1 47 23 50 1 48 23 51 1 49 23 52 1 50 24 26 2 51 24 53 1 52 25 27 1 53 25 54 1 54 26 28 1 55 26 55 1 56 29 56 1 57 29 57 1 58 29 58 1