@MOLECULE 12-(3-carboxyphenyl)retinoic acid 63 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3748 -4.6916 0.0617 O.3 1 UNL1111111111 -0.5584 2 O 6.6982 3.1728 0.7034 O.3 1 UNL1111111111 -0.5631 3 O -0.5125 -3.2130 -1.5968 O.2 1 UNL1111111111 -0.5039 4 O 7.0611 1.5393 -0.7602 O.2 1 UNL1111111111 -0.5342 5 C -5.1173 1.8463 0.3856 C.3 1 UNL1111111111 0.1204 6 C -6.5949 1.3913 0.4096 C.3 1 UNL1111111111 -0.2913 7 C -6.7146 -0.0671 0.8567 C.3 1 UNL1111111111 -0.2620 8 C -4.2454 0.8036 -0.2757 C.2 1 UNL1111111111 -0.1273 9 C -5.9957 -0.9757 -0.1467 C.3 1 UNL1111111111 -0.2827 10 C -4.6325 -0.4621 -0.4970 C.2 1 UNL1111111111 0.0342 11 C -4.6163 2.0733 1.8241 C.3 1 UNL1111111111 -0.4603 12 C -5.0369 3.1735 -0.3925 C.3 1 UNL1111111111 -0.4661 13 C -2.9094 1.2608 -0.6749 C.2 1 UNL1111111111 -0.0854 14 C -3.7364 -1.4806 -1.1206 C.3 1 UNL1111111111 -0.4580 15 C -1.8598 1.2488 0.1583 C.2 1 UNL1111111111 -0.2223 16 C -0.5086 1.6475 -0.2321 C.2 1 UNL1111111111 0.0958 17 C -0.3657 2.5577 -1.4045 C.3 1 UNL1111111111 -0.4595 18 C 0.5436 1.1463 0.4446 C.2 1 UNL1111111111 -0.2657 19 C 1.9322 1.3979 0.1099 C.2 1 UNL1111111111 -0.0674 20 C 2.8647 0.4248 0.0887 C.2 1 UNL1111111111 -0.1202 21 C 2.5497 -0.9731 0.4029 C.ar 1 UNL1111111111 -0.0160 22 C 4.2606 0.7189 -0.2682 C.2 1 UNL1111111111 0.1903 23 C 1.4944 -1.6197 -0.2451 C.ar 1 UNL1111111111 -0.0858 24 C 3.2886 -1.6563 1.3749 C.ar 1 UNL1111111111 -0.1043 25 C 4.8722 -0.1434 -1.3103 C.3 1 UNL1111111111 -0.4760 26 C 1.1715 -2.9324 0.1018 C.ar 1 UNL1111111111 -0.1487 27 C 4.9178 1.7314 0.3328 C.2 1 UNL1111111111 -0.3803 28 C 2.9659 -2.9695 1.7082 C.ar 1 UNL1111111111 -0.1802 29 C 1.9021 -3.6116 1.0782 C.ar 1 UNL1111111111 -0.0721 30 C 0.0426 -3.5704 -0.5887 C.2 1 UNL1111111111 0.6450 31 C 6.2929 2.0735 0.0036 C.2 1 UNL1111111111 0.6661 32 H -7.0349 1.5072 -0.5990 H 1 UNL1111111111 0.1414 33 H -7.1807 2.0490 1.0753 H 1 UNL1111111111 0.1362 34 H -7.7767 -0.3574 0.9456 H 1 UNL1111111111 0.1314 35 H -6.2775 -0.1947 1.8651 H 1 UNL1111111111 0.1406 36 H -6.5971 -1.0600 -1.0770 H 1 UNL1111111111 0.1496 37 H -5.9283 -2.0044 0.2608 H 1 UNL1111111111 0.1451 38 H -5.2572 2.7781 2.3617 H 1 UNL1111111111 0.1436 39 H -3.5988 2.4799 1.8295 H 1 UNL1111111111 0.1496 40 H -4.5984 1.1350 2.3884 H 1 UNL1111111111 0.1481 41 H -5.7198 3.9189 0.0269 H 1 UNL1111111111 0.1455 42 H -5.3000 3.0307 -1.4455 H 1 UNL1111111111 0.1462 43 H -4.0274 3.5970 -0.3567 H 1 UNL1111111111 0.1482 44 H -2.8363 1.5979 -1.7106 H 1 UNL1111111111 0.1508 45 H -3.3232 -2.1560 -0.3567 H 1 UNL1111111111 0.1610 46 H -2.8736 -1.0397 -1.6414 H 1 UNL1111111111 0.1652 47 H -4.2648 -2.1003 -1.8567 H 1 UNL1111111111 0.1535 48 H -1.9692 0.8905 1.1848 H 1 UNL1111111111 0.1625 49 H -1.1340 3.3445 -1.4049 H 1 UNL1111111111 0.1596 50 H 0.6085 3.0638 -1.4368 H 1 UNL1111111111 0.1557 51 H -0.4664 1.9991 -2.3485 H 1 UNL1111111111 0.1667 52 H 0.3866 0.4730 1.2913 H 1 UNL1111111111 0.1686 53 H 2.1946 2.4324 -0.1341 H 1 UNL1111111111 0.1583 54 H 0.9177 -1.0988 -1.0161 H 1 UNL1111111111 0.1826 55 H 4.1161 -1.1529 1.8769 H 1 UNL1111111111 0.1616 56 H 5.7473 -0.6921 -0.9184 H 1 UNL1111111111 0.1851 57 H 4.1779 -0.8828 -1.7308 H 1 UNL1111111111 0.1658 58 H 5.2702 0.4566 -2.1488 H 1 UNL1111111111 0.1876 59 H 4.4528 2.3481 1.1046 H 1 UNL1111111111 0.1938 60 H 3.5435 -3.4947 2.4673 H 1 UNL1111111111 0.1585 61 H 1.6395 -4.6373 1.3457 H 1 UNL1111111111 0.1712 62 H -1.1334 -5.1407 -0.3867 H 1 UNL1111111111 0.3550 63 H 7.6288 3.4366 0.5059 H 1 UNL1111111111 0.3509 @BOND 1 1 30 1 2 1 62 1 3 2 31 1 4 2 63 1 5 3 30 2 6 4 31 2 7 5 6 1 8 5 8 1 9 5 11 1 10 5 12 1 11 6 7 1 12 6 32 1 13 6 33 1 14 7 9 1 15 7 34 1 16 7 35 1 17 8 10 2 18 8 13 1 19 9 10 1 20 9 36 1 21 9 37 1 22 10 14 1 23 11 38 1 24 11 39 1 25 11 40 1 26 12 41 1 27 12 42 1 28 12 43 1 29 13 15 2 30 13 44 1 31 14 45 1 32 14 46 1 33 14 47 1 34 15 16 1 35 15 48 1 36 16 17 1 37 16 18 2 38 17 49 1 39 17 50 1 40 17 51 1 41 18 19 1 42 18 52 1 43 19 20 2 44 19 53 1 45 20 21 1 46 20 22 1 47 21 23 ar 48 21 24 ar 49 22 25 1 50 22 27 2 51 23 26 ar 52 23 54 1 53 24 28 ar 54 24 55 1 55 25 56 1 56 25 57 1 57 25 58 1 58 26 29 ar 59 26 30 1 60 27 31 1 61 27 59 1 62 28 29 ar 63 28 60 1 64 29 61 1