@MOLECULE (2r,3s)-3-(isopropylamino)-1-[(7-methyl-2,3-dihydro-1h-inden-4-yl)oxy]-2-butanol 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2257 -1.2298 -0.9114 O.3 1 UNL1111111111 -0.3274 2 O 3.5268 -2.2765 0.0508 O.3 1 UNL1111111111 -0.5481 3 N 2.5393 0.4620 0.8152 N.3 1 UNL1111111111 -0.5793 4 C -1.7601 -0.0066 -0.7630 C.ar 1 UNL1111111111 -0.0949 5 C -1.4028 1.0471 -1.7585 C.3 1 UNL1111111111 -0.2500 6 C -3.0185 0.2297 -0.1973 C.ar 1 UNL1111111111 0.0139 7 C -2.4882 2.1402 -1.5719 C.3 1 UNL1111111111 -0.2583 8 C -3.6185 1.4935 -0.7303 C.3 1 UNL1111111111 -0.2766 9 C 2.8205 -0.0144 -0.5510 C.3 1 UNL1111111111 0.0269 10 C -1.0009 -1.0903 -0.3305 C.ar 1 UNL1111111111 0.2205 11 C 2.5506 -1.5389 -0.6471 C.3 1 UNL1111111111 0.1135 12 C -3.5358 -0.6049 0.7866 C.ar 1 UNL1111111111 -0.0507 13 C 1.1683 -1.9659 -0.1255 C.3 1 UNL1111111111 -0.0983 14 C 2.6432 1.9384 0.9898 C.3 1 UNL1111111111 0.1089 15 C -1.5190 -1.9648 0.6312 C.ar 1 UNL1111111111 -0.2736 16 C -2.7758 -1.7126 1.1739 C.ar 1 UNL1111111111 -0.1229 17 C 4.2621 0.2273 -1.0326 C.3 1 UNL1111111111 -0.4954 18 C -4.8383 -0.2946 1.4381 C.3 1 UNL1111111111 -0.4356 19 C 2.3190 2.2562 2.4609 C.3 1 UNL1111111111 -0.4673 20 C 1.6473 2.6755 0.0826 C.3 1 UNL1111111111 -0.4650 21 H -0.3871 1.4442 -1.5940 H 1 UNL1111111111 0.1514 22 H -1.4138 0.6386 -2.7840 H 1 UNL1111111111 0.1508 23 H -2.8654 2.5089 -2.5354 H 1 UNL1111111111 0.1337 24 H -2.0684 3.0096 -1.0405 H 1 UNL1111111111 0.1359 25 H -4.5116 1.2807 -1.3441 H 1 UNL1111111111 0.1493 26 H -3.9497 2.1656 0.0804 H 1 UNL1111111111 0.1468 27 H 2.0969 0.4954 -1.2424 H 1 UNL1111111111 0.1597 28 H 2.6946 -1.8731 -1.7016 H 1 UNL1111111111 0.1521 29 H 0.9965 -3.0434 -0.3080 H 1 UNL1111111111 0.1380 30 H 1.0584 -1.7323 0.9501 H 1 UNL1111111111 0.1484 31 H 3.1284 -0.0065 1.4963 H 1 UNL1111111111 0.2480 32 H 3.6814 2.2911 0.7563 H 1 UNL1111111111 0.1033 33 H -0.9503 -2.8260 0.9674 H 1 UNL1111111111 0.1622 34 H -3.1690 -2.3910 1.9299 H 1 UNL1111111111 0.1480 35 H 4.4932 1.2920 -1.1105 H 1 UNL1111111111 0.1444 36 H 4.9960 -0.2336 -0.3603 H 1 UNL1111111111 0.1570 37 H 4.4171 -0.2217 -2.0212 H 1 UNL1111111111 0.1554 38 H -5.6485 -0.2315 0.6982 H 1 UNL1111111111 0.1539 39 H -5.1283 -1.0502 2.1787 H 1 UNL1111111111 0.1509 40 H -4.7985 0.6718 1.9620 H 1 UNL1111111111 0.1537 41 H 1.3033 1.9216 2.7129 H 1 UNL1111111111 0.1658 42 H 2.3718 3.3335 2.6471 H 1 UNL1111111111 0.1456 43 H 3.0091 1.7631 3.1502 H 1 UNL1111111111 0.1390 44 H 1.5640 3.7314 0.3592 H 1 UNL1111111111 0.1445 45 H 1.9444 2.6315 -0.9690 H 1 UNL1111111111 0.1415 46 H 0.6468 2.2278 0.1668 H 1 UNL1111111111 0.1694 47 H 3.4852 -2.1040 1.0090 H 1 UNL1111111111 0.3111 @BOND 1 1 10 1 2 1 13 1 3 2 11 1 4 2 47 1 5 3 9 1 6 3 14 1 7 3 31 1 8 4 5 1 9 4 6 ar 10 4 10 ar 11 5 7 1 12 5 21 1 13 5 22 1 14 6 8 1 15 6 12 ar 16 7 8 1 17 7 23 1 18 7 24 1 19 8 25 1 20 8 26 1 21 9 11 1 22 9 17 1 23 9 27 1 24 10 15 ar 25 11 13 1 26 11 28 1 27 12 16 ar 28 12 18 1 29 13 29 1 30 13 30 1 31 14 19 1 32 14 20 1 33 14 32 1 34 15 16 ar 35 15 33 1 36 16 34 1 37 17 35 1 38 17 36 1 39 17 37 1 40 18 38 1 41 18 39 1 42 18 40 1 43 19 41 1 44 19 42 1 45 19 43 1 46 20 44 1 47 20 45 1 48 20 46 1