@MOLECULE 3-[(3as,4s,7as)-7a-methyl-5-oxooctahydro-1h-inden-4-yl]propanoic acid 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6309 -2.5998 0.0192 O.2 1 UNL1111111111 -0.4689 2 O 4.1731 0.6102 -1.2894 O.3 1 UNL1111111111 -0.5750 3 O 4.0934 0.6026 0.9357 O.2 1 UNL1111111111 -0.5126 4 C -2.4031 0.1586 -0.1539 C.3 1 UNL1111111111 0.0728 5 C -0.9016 0.5486 -0.0411 C.3 1 UNL1111111111 -0.1255 6 C -3.0007 1.4263 -0.8086 C.3 1 UNL1111111111 -0.2980 7 C -0.1267 -0.4742 0.7839 C.3 1 UNL1111111111 -0.2275 8 C -0.9355 1.9980 0.4618 C.3 1 UNL1111111111 -0.2730 9 C -2.4843 -1.1101 -1.0109 C.3 1 UNL1111111111 -0.2882 10 C -2.1810 2.6046 -0.2283 C.3 1 UNL1111111111 -0.2633 11 C -3.0937 -0.0691 1.1959 C.3 1 UNL1111111111 -0.4608 12 C -1.6640 -2.2436 -0.3815 C.3 1 UNL1111111111 -0.3805 13 C -0.2947 -1.8325 0.1164 C.2 1 UNL1111111111 0.4763 14 C 1.3516 -0.1065 0.9599 C.3 1 UNL1111111111 -0.2457 15 C 2.1120 0.0085 -0.3637 C.3 1 UNL1111111111 -0.3479 16 C 3.5224 0.4236 -0.1070 C.2 1 UNL1111111111 0.6538 17 H -0.4719 0.5601 -1.0763 H 1 UNL1111111111 0.1428 18 H -4.0736 1.5344 -0.5971 H 1 UNL1111111111 0.1390 19 H -2.9071 1.3882 -1.9052 H 1 UNL1111111111 0.1373 20 H -0.5777 -0.5470 1.8089 H 1 UNL1111111111 0.1687 21 H -0.0174 2.5465 0.2040 H 1 UNL1111111111 0.1391 22 H -1.0263 2.0434 1.5586 H 1 UNL1111111111 0.1393 23 H -2.1178 -0.9039 -2.0350 H 1 UNL1111111111 0.1446 24 H -3.5361 -1.4288 -1.1325 H 1 UNL1111111111 0.1457 25 H -2.7808 3.1857 0.4885 H 1 UNL1111111111 0.1332 26 H -1.8882 3.3041 -1.0264 H 1 UNL1111111111 0.1345 27 H -2.6690 -0.9124 1.7479 H 1 UNL1111111111 0.1430 28 H -3.0148 0.8169 1.8369 H 1 UNL1111111111 0.1519 29 H -4.1609 -0.2771 1.0580 H 1 UNL1111111111 0.1463 30 H -1.5501 -3.0738 -1.1116 H 1 UNL1111111111 0.1732 31 H -2.2188 -2.6896 0.4711 H 1 UNL1111111111 0.1683 32 H 1.4315 0.8435 1.5268 H 1 UNL1111111111 0.1533 33 H 1.8455 -0.8758 1.5960 H 1 UNL1111111111 0.1696 34 H 2.1030 -0.9700 -0.9029 H 1 UNL1111111111 0.2026 35 H 1.6244 0.7278 -1.0553 H 1 UNL1111111111 0.1773 36 H 5.1196 0.8686 -1.1856 H 1 UNL1111111111 0.3544 @BOND 1 1 13 2 2 2 16 1 3 2 36 1 4 3 16 2 5 4 5 1 6 4 6 1 7 4 9 1 8 4 11 1 9 5 7 1 10 5 8 1 11 5 17 1 12 6 10 1 13 6 18 1 14 6 19 1 15 7 13 1 16 7 14 1 17 7 20 1 18 8 10 1 19 8 21 1 20 8 22 1 21 9 12 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 13 1 30 12 30 1 31 12 31 1 32 14 15 1 33 14 32 1 34 14 33 1 35 15 16 1 36 15 34 1 37 15 35 1