@MOLECULE 1-[(2s,3s)-3-isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1h-inden-5-yl]ethanone 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.2516 0.7584 0.6621 O.2 1 UNL1111111 -0.4558 2 C 2.5910 -0.2904 -0.5221 C.3 1 UNL1111111 -0.1139 3 C 1.8336 -1.4905 0.1565 C.3 1 UNL1111111 0.0727 4 C 1.6188 0.9373 -0.4334 C.3 1 UNL1111111 -0.1418 5 C 0.3897 -1.0515 0.1358 C.ar 1 UNL1111111 0.0055 6 C 0.2747 0.3054 -0.2158 C.ar 1 UNL1111111 -0.0519 7 C 2.0280 1.8857 0.7183 C.3 1 UNL1111111 -0.0646 8 C 2.9560 -0.5403 -1.9838 C.3 1 UNL1111111 -0.4523 9 C 2.2908 -1.6367 1.6162 C.3 1 UNL1111111 -0.4582 10 C 2.0193 -2.8253 -0.5642 C.3 1 UNL1111111 -0.4522 11 C -0.7315 -1.8132 0.4045 C.ar 1 UNL1111111 -0.2144 12 C -0.9724 0.8812 -0.3618 C.ar 1 UNL1111111 -0.1280 13 C 0.9461 2.9315 1.0076 C.3 1 UNL1111111 -0.4536 14 C 3.3374 2.6034 0.3615 C.3 1 UNL1111111 -0.4567 15 C -2.0008 -1.2226 0.3034 C.ar 1 UNL1111111 0.0945 16 C -2.1116 0.1108 -0.0963 C.ar 1 UNL1111111 -0.1965 17 C -3.2134 -2.0315 0.6114 C.3 1 UNL1111111 -0.4637 18 C -3.4462 0.7461 -0.2359 C.2 1 UNL1111111 0.5083 19 C -3.7477 1.3788 -1.5648 C.3 1 UNL1111111 -0.5474 20 H 3.5241 -0.0886 0.0449 H 1 UNL1111111 0.1396 21 H 1.6282 1.5109 -1.3864 H 1 UNL1111111 0.1495 22 H 2.1852 1.2758 1.6410 H 1 UNL1111111 0.1348 23 H 3.4331 0.3425 -2.4258 H 1 UNL1111111 0.1427 24 H 3.6597 -1.3729 -2.0902 H 1 UNL1111111 0.1457 25 H 2.0692 -0.7716 -2.5856 H 1 UNL1111111 0.1505 26 H 3.3489 -1.9100 1.6766 H 1 UNL1111111 0.1474 27 H 1.7151 -2.4119 2.1348 H 1 UNL1111111 0.1510 28 H 3.0796 -3.0817 -0.6623 H 1 UNL1111111 0.1482 29 H 1.5807 -2.8068 -1.5686 H 1 UNL1111111 0.1509 30 H 1.5334 -3.6419 -0.0170 H 1 UNL1111111 0.1464 31 H 2.1501 -0.7041 2.1753 H 1 UNL1111111 0.1511 32 H -0.6355 -2.8570 0.6904 H 1 UNL1111111 0.1601 33 H -1.0706 1.9188 -0.6741 H 1 UNL1111111 0.1561 34 H 0.0421 2.4663 1.4204 H 1 UNL1111111 0.1538 35 H 1.2938 3.6647 1.7440 H 1 UNL1111111 0.1446 36 H 0.6627 3.4807 0.1047 H 1 UNL1111111 0.1420 37 H 3.6779 3.2345 1.1895 H 1 UNL1111111 0.1441 38 H 4.1427 1.8962 0.1375 H 1 UNL1111111 0.1418 39 H 3.2134 3.2484 -0.5148 H 1 UNL1111111 0.1444 40 H -3.8260 -1.5418 1.3906 H 1 UNL1111111 0.1854 41 H -3.8601 -2.1456 -0.2703 H 1 UNL1111111 0.1606 42 H -2.9766 -3.0388 0.9751 H 1 UNL1111111 0.1540 43 H -4.8295 1.5204 -1.7010 H 1 UNL1111111 0.1768 44 H -3.3761 0.7732 -2.4009 H 1 UNL1111111 0.1726 45 H -3.2808 2.3704 -1.6400 H 1 UNL1111111 0.1758 @BOND 1 25 8 1 2 23 8 1 3 44 19 1 4 24 8 1 5 8 2 1 6 43 19 1 7 45 19 1 8 29 10 1 9 19 18 1 10 21 4 1 11 33 12 1 12 28 10 1 13 10 30 1 14 10 3 1 15 2 4 1 16 2 20 1 17 2 3 1 18 39 14 1 19 4 6 1 20 4 7 1 21 12 6 ar 22 12 16 ar 23 41 17 1 24 18 16 1 25 18 1 2 26 6 5 ar 27 16 15 ar 28 36 13 1 29 5 3 1 30 5 11 ar 31 38 14 1 32 3 9 1 33 15 11 ar 34 15 17 1 35 14 7 1 36 14 37 1 37 11 32 1 38 17 42 1 39 17 40 1 40 7 13 1 41 7 22 1 42 13 34 1 43 13 35 1 44 9 26 1 45 9 27 1 46 9 31 1