@MOLECULE 4a-methyl-6-(3-oxobutyl)-4,4a,5,6,7,8-hexahydro-2(3h)-naphthalenone 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.1329 -0.0662 1.0060 O.2 1 UNL111111111 -0.4656 2 O 5.0214 0.5948 0.9973 O.2 1 UNL111111111 -0.4551 3 C -1.2410 -0.5358 -0.3889 C.3 1 UNL111111111 0.0513 4 C 0.2015 -0.4773 0.1646 C.3 1 UNL111111111 -0.3012 5 C 1.0053 0.7080 -0.3904 C.3 1 UNL111111111 -0.1014 6 C -1.9217 0.8074 -0.2589 C.2 1 UNL111111111 0.1133 7 C 0.2665 2.0124 -0.0501 C.3 1 UNL111111111 -0.2715 8 C -1.9910 -1.6172 0.4284 C.3 1 UNL111111111 -0.2805 9 C -1.1309 2.0086 -0.6781 C.3 1 UNL111111111 -0.3027 10 C -1.2312 -0.9253 -1.8765 C.3 1 UNL111111111 -0.4552 11 C 2.4156 0.7417 0.2192 C.3 1 UNL111111111 -0.2724 12 C -3.4988 -1.5809 0.1973 C.3 1 UNL111111111 -0.3809 13 C -3.1905 0.9391 0.1555 C.2 1 UNL111111111 -0.3757 14 C -4.0398 -0.2054 0.5100 C.2 1 UNL111111111 0.4937 15 C 3.2992 -0.3867 -0.3187 C.3 1 UNL111111111 -0.3844 16 C 4.6811 -0.3130 0.2835 C.2 1 UNL111111111 0.4970 17 C 5.6123 -1.4429 -0.0514 C.3 1 UNL111111111 -0.5578 18 H 0.7163 -1.4283 -0.0631 H 1 UNL111111111 0.1376 19 H 0.1702 -0.4061 1.2702 H 1 UNL111111111 0.1489 20 H 1.0894 0.6148 -1.4983 H 1 UNL111111111 0.1342 21 H 0.8398 2.8867 -0.4097 H 1 UNL111111111 0.1408 22 H 0.1881 2.1310 1.0479 H 1 UNL111111111 0.1495 23 H -1.7864 -1.4732 1.5090 H 1 UNL111111111 0.1487 24 H -1.5911 -2.6171 0.1782 H 1 UNL111111111 0.1435 25 H -1.0503 2.0199 -1.7868 H 1 UNL111111111 0.1567 26 H -1.6577 2.9493 -0.4160 H 1 UNL111111111 0.1554 27 H 2.3654 0.6879 1.3246 H 1 UNL111111111 0.1548 28 H 2.8992 1.7183 0.0087 H 1 UNL111111111 0.1568 29 H -0.7940 -1.9181 -2.0243 H 1 UNL111111111 0.1478 30 H -2.2460 -0.9449 -2.2909 H 1 UNL111111111 0.1533 31 H -0.6473 -0.2181 -2.4755 H 1 UNL111111111 0.1478 32 H -4.0108 -2.3426 0.8199 H 1 UNL111111111 0.1720 33 H -3.7530 -1.8400 -0.8499 H 1 UNL111111111 0.1676 34 H -3.6755 1.9096 0.2569 H 1 UNL111111111 0.1800 35 H 2.8461 -1.3743 -0.1035 H 1 UNL111111111 0.1632 36 H 3.3718 -0.3256 -1.4235 H 1 UNL111111111 0.1642 37 H 5.6150 -1.6776 -1.1217 H 1 UNL111111111 0.1686 38 H 5.3332 -2.3562 0.4912 H 1 UNL111111111 0.1753 39 H 6.6472 -1.2029 0.2387 H 1 UNL111111111 0.1824 @BOND 1 1 14 2 2 2 16 2 3 3 4 1 4 3 6 1 5 3 8 1 6 3 10 1 7 4 5 1 8 4 18 1 9 4 19 1 10 5 7 1 11 5 11 1 12 5 20 1 13 6 9 1 14 6 13 2 15 7 9 1 16 7 21 1 17 7 22 1 18 8 12 1 19 8 23 1 20 8 24 1 21 9 25 1 22 9 26 1 23 10 29 1 24 10 30 1 25 10 31 1 26 11 15 1 27 11 27 1 28 11 28 1 29 12 14 1 30 12 32 1 31 12 33 1 32 13 14 1 33 13 34 1 34 15 16 1 35 15 35 1 36 15 36 1 37 16 17 1 38 17 37 1 39 17 38 1 40 17 39 1