@MOLECULE 4-(2,2-dimethyl-3,4-dihydro-2h-chromen-6-yl)butanoic acid 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3291 -0.6591 0.6616 O.3 1 UNL1111 -0.3692 2 O 6.5501 0.5109 -0.0658 O.3 1 UNL1111 -0.5792 3 O 4.9778 1.2276 1.3375 O.2 1 UNL1111 -0.5024 4 C -4.1505 0.4632 0.2956 C.3 1 UNL1111 0.3153 5 C -3.8650 0.8996 -1.1472 C.3 1 UNL1111 -0.3347 6 C -2.3855 1.2533 -1.3283 C.3 1 UNL1111 -0.2570 7 C -1.5178 0.2038 -0.7177 C.ar 1 UNL1111 -0.1206 8 C -2.0398 -0.6655 0.2474 C.ar 1 UNL1111 0.2367 9 C -5.5612 -0.1183 0.4316 C.3 1 UNL1111 -0.4822 10 C -3.8974 1.5714 1.3167 C.3 1 UNL1111 -0.4971 11 C -0.1833 0.0608 -1.0898 C.ar 1 UNL1111 -0.1440 12 C 0.6119 -0.9317 -0.5159 C.ar 1 UNL1111 -0.0499 13 C -1.2535 -1.6626 0.8395 C.ar 1 UNL1111 -0.2385 14 C 2.0446 -1.0765 -0.9305 C.3 1 UNL1111 -0.2711 15 C 0.0730 -1.7874 0.4496 C.ar 1 UNL1111 -0.1230 16 C 2.9314 -0.1714 -0.0631 C.3 1 UNL1111 -0.2455 17 C 4.3984 -0.3037 -0.4778 C.3 1 UNL1111 -0.3499 18 C 5.2635 0.5583 0.3816 C.2 1 UNL1111 0.6463 19 H -4.5067 1.7557 -1.4203 H 1 UNL1111 0.1503 20 H -4.1361 0.0778 -1.8402 H 1 UNL1111 0.1575 21 H -2.1637 2.2407 -0.8694 H 1 UNL1111 0.1528 22 H -2.1579 1.3727 -2.4077 H 1 UNL1111 0.1497 23 H -5.7209 -0.9430 -0.2740 H 1 UNL1111 0.1603 24 H -5.7201 -0.5295 1.4374 H 1 UNL1111 0.1646 25 H -6.3241 0.6440 0.2514 H 1 UNL1111 0.1540 26 H -4.1064 1.2190 2.3348 H 1 UNL1111 0.1624 27 H -2.8485 1.8932 1.3047 H 1 UNL1111 0.1625 28 H -4.5235 2.4474 1.1257 H 1 UNL1111 0.1532 29 H 0.2405 0.7290 -1.8373 H 1 UNL1111 0.1520 30 H -1.6909 -2.3185 1.5873 H 1 UNL1111 0.1711 31 H 2.1682 -0.8210 -2.0022 H 1 UNL1111 0.1441 32 H 2.3725 -2.1319 -0.8430 H 1 UNL1111 0.1452 33 H 0.6970 -2.5572 0.9013 H 1 UNL1111 0.1533 34 H 2.5984 0.8827 -0.1457 H 1 UNL1111 0.1561 35 H 2.8063 -0.4264 1.0092 H 1 UNL1111 0.1601 36 H 4.7379 -1.3606 -0.4068 H 1 UNL1111 0.1806 37 H 4.5353 -0.0309 -1.5474 H 1 UNL1111 0.1805 38 H 7.1763 1.0601 0.4632 H 1 UNL1111 0.3559 @BOND 1 1 4 1 2 1 8 1 3 2 18 1 4 2 38 1 5 3 18 2 6 4 5 1 7 4 9 1 8 4 10 1 9 5 6 1 10 5 19 1 11 5 20 1 12 6 7 1 13 6 21 1 14 6 22 1 15 7 8 ar 16 7 11 ar 17 8 13 ar 18 9 23 1 19 9 24 1 20 9 25 1 21 10 26 1 22 10 27 1 23 10 28 1 24 11 12 ar 25 11 29 1 26 12 14 1 27 12 15 ar 28 13 15 ar 29 13 30 1 30 14 16 1 31 14 31 1 32 14 32 1 33 15 33 1 34 16 17 1 35 16 34 1 36 16 35 1 37 17 18 1 38 17 36 1 39 17 37 1