@MOLECULE (3s,4r)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6420 -2.2078 0.3482 O.3 1 UNL1111111111 -0.3575 2 O 0.9024 0.4970 0.2945 O.2 1 UNL1111111111 -0.3170 3 O 0.0608 -2.1372 -2.0141 O.3 1 UNL1111111111 -0.5309 4 O 5.3702 1.6395 1.0776 O.2 1 UNL1111111111 -0.4508 5 N -4.1778 3.9600 -0.1580 N.1 1 UNL1111111111 -0.2431 6 C -0.2155 -2.4309 0.3877 C.3 1 UNL1111111111 0.2551 7 C 0.4591 -1.6486 -0.7582 C.3 1 UNL1111111111 0.0386 8 C 0.1151 -0.1411 -0.7221 C.3 1 UNL1111111111 0.0693 9 C -1.2874 0.1069 -0.2782 C.ar 1 UNL1111111111 -0.2187 10 C 0.3024 -2.0099 1.7536 C.3 1 UNL1111111111 -0.5012 11 C -0.1201 -3.9365 0.1717 C.3 1 UNL1111111111 -0.4735 12 C -2.0709 -0.9359 0.2337 C.ar 1 UNL1111111111 0.2999 13 C -1.8382 1.3834 -0.3671 C.ar 1 UNL1111111111 -0.0156 14 C 2.1963 0.7376 0.0406 C.2 1 UNL1111111111 0.2909 15 C -3.4101 -0.7331 0.6088 C.ar 1 UNL1111111111 -0.2634 16 C 2.8363 0.7352 -1.3219 C.3 1 UNL1111111111 -0.3252 17 C 4.2987 1.1305 -1.0301 C.3 1 UNL1111111111 -0.3803 18 C -3.1633 1.5987 0.0181 C.ar 1 UNL1111111111 -0.1206 19 C 3.0380 1.0686 1.0457 C.2 1 UNL1111111111 -0.4362 20 C -3.9490 0.5364 0.4984 C.ar 1 UNL1111111111 -0.0247 21 C 4.3708 1.3295 0.4894 C.2 1 UNL1111111111 0.5021 22 C -3.7221 2.8988 -0.0777 C.1 1 UNL1111111111 0.1237 23 H 1.5604 -1.8177 -0.7520 H 1 UNL1111111111 0.1664 24 H 0.3172 0.3198 -1.7179 H 1 UNL1111111111 0.1591 25 H 0.1424 -0.9372 1.9450 H 1 UNL1111111111 0.1821 26 H -0.2132 -2.5528 2.5572 H 1 UNL1111111111 0.1690 27 H 1.3770 -2.1988 1.8617 H 1 UNL1111111111 0.1682 28 H -0.3699 -4.2228 -0.8595 H 1 UNL1111111111 0.1704 29 H 0.8922 -4.3041 0.3779 H 1 UNL1111111111 0.1659 30 H -0.8137 -4.4754 0.8329 H 1 UNL1111111111 0.1695 31 H -1.2314 2.2149 -0.7359 H 1 UNL1111111111 0.1706 32 H -0.9195 -2.2281 -2.0556 H 1 UNL1111111111 0.3295 33 H 2.7731 -0.2486 -1.8214 H 1 UNL1111111111 0.1675 34 H 2.3477 1.4587 -2.0010 H 1 UNL1111111111 0.1692 35 H -3.9932 -1.5710 0.9878 H 1 UNL1111111111 0.1854 36 H 4.5964 2.0568 -1.5485 H 1 UNL1111111111 0.1726 37 H 5.0175 0.3589 -1.3501 H 1 UNL1111111111 0.1714 38 H 2.8304 1.1520 2.0938 H 1 UNL1111111111 0.1936 39 H -4.9863 0.7205 0.7901 H 1 UNL1111111111 0.1687 @BOND 1 1 6 1 2 1 12 1 3 2 8 1 4 2 14 1 5 3 7 1 6 3 32 1 7 4 21 2 8 5 22 3 9 6 7 1 10 6 10 1 11 6 11 1 12 7 8 1 13 7 23 1 14 8 9 1 15 8 24 1 16 9 12 ar 17 9 13 ar 18 10 25 1 19 10 26 1 20 10 27 1 21 11 28 1 22 11 29 1 23 11 30 1 24 12 15 ar 25 13 18 ar 26 13 31 1 27 14 16 1 28 14 19 2 29 15 20 ar 30 15 35 1 31 16 17 1 32 16 33 1 33 16 34 1 34 17 21 1 35 17 36 1 36 17 37 1 37 18 20 ar 38 18 22 1 39 19 21 1 40 19 38 1 41 20 39 1