@MOLECULE n-[(3s,4s)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2h-chromen-4-yl]-3-chloro-4-fluorobenzamide 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.6199 -2.0426 0.9090 Cl 1 UNL1111111111 -0.0203 2 F 6.3302 0.2720 0.5801 F 1 UNL1111111111 -0.1416 3 O -3.8272 1.3891 0.8481 O.3 1 UNL1111111111 -0.3654 4 O -1.2015 2.2340 1.5304 O.3 1 UNL1111111111 -0.5331 5 O 0.8482 1.8041 -2.1219 O.2 1 UNL1111111111 -0.5175 6 O -1.1820 -4.0227 -0.9644 O.2 1 UNL1111111111 -0.4614 7 N 0.0994 0.7212 -0.2783 N.am 1 UNL1111111111 -0.5794 8 C -3.2134 2.5316 0.2142 C.3 1 UNL1111111111 0.2444 9 C -1.6832 2.3412 0.2142 C.3 1 UNL1111111111 0.0464 10 C -1.2943 1.0581 -0.5761 C.3 1 UNL1111111111 0.0525 11 C -2.1951 -0.0810 -0.1923 C.ar 1 UNL1111111111 -0.2262 12 C -3.4001 0.1618 0.4783 C.ar 1 UNL1111111111 0.2779 13 C -3.7837 2.6727 -1.1901 C.3 1 UNL1111111111 -0.5005 14 C -3.6359 3.6760 1.1276 C.3 1 UNL1111111111 -0.4712 15 C -1.8607 -1.3976 -0.4972 C.ar 1 UNL1111111111 -0.0018 16 C -4.2482 -0.8849 0.8715 C.ar 1 UNL1111111111 -0.2772 17 C -2.6960 -2.4515 -0.1182 C.ar 1 UNL1111111111 -0.2394 18 C -3.8851 -2.1886 0.5707 C.ar 1 UNL1111111111 -0.0362 19 C 1.1049 1.2071 -1.0965 C.2 1 UNL1111111111 0.5898 20 C -2.2672 -3.8251 -0.4684 C.2 1 UNL1111111111 0.5031 21 C 2.4927 0.9183 -0.6417 C.ar 1 UNL1111111111 -0.1440 22 C -3.2043 -4.9668 -0.2019 C.3 1 UNL1111111111 -0.5482 23 C 2.8472 -0.3352 -0.1413 C.ar 1 UNL1111111111 -0.0972 24 C 3.4349 1.9436 -0.7522 C.ar 1 UNL1111111111 -0.0634 25 C 4.1558 -0.5398 0.2750 C.ar 1 UNL1111111111 -0.0819 26 C 4.7494 1.7386 -0.3389 C.ar 1 UNL1111111111 -0.2135 27 C 5.0916 0.4898 0.1767 C.ar 1 UNL1111111111 0.1932 28 H -1.1484 3.2348 -0.1789 H 1 UNL1111111111 0.1704 29 H -1.3899 1.2617 -1.6846 H 1 UNL1111111111 0.1894 30 H -4.8630 2.8770 -1.1582 H 1 UNL1111111111 0.1700 31 H -3.3080 3.4923 -1.7420 H 1 UNL1111111111 0.1668 32 H -3.6599 1.7554 -1.7808 H 1 UNL1111111111 0.1660 33 H -3.4327 4.6492 0.6663 H 1 UNL1111111111 0.1634 34 H -4.7101 3.6265 1.3540 H 1 UNL1111111111 0.1669 35 H -3.1020 3.6484 2.0888 H 1 UNL1111111111 0.1724 36 H 0.2896 0.4249 0.6698 H 1 UNL1111111111 0.3229 37 H -0.9283 -1.6150 -1.0364 H 1 UNL1111111111 0.1891 38 H -1.7495 1.6029 2.0494 H 1 UNL1111111111 0.3238 39 H -5.1714 -0.6577 1.3990 H 1 UNL1111111111 0.1780 40 H -4.5385 -3.0079 0.8753 H 1 UNL1111111111 0.1556 41 H -4.1713 -4.8248 -0.7006 H 1 UNL1111111111 0.1726 42 H -3.3869 -5.0958 0.8728 H 1 UNL1111111111 0.1732 43 H -2.7820 -5.9145 -0.5730 H 1 UNL1111111111 0.1822 44 H 2.1118 -1.1445 -0.0890 H 1 UNL1111111111 0.1883 45 H 3.1360 2.9086 -1.1732 H 1 UNL1111111111 0.1779 46 H 5.4895 2.5346 -0.4208 H 1 UNL1111111111 0.1831 @BOND 1 1 25 1 2 2 27 1 3 3 8 1 4 3 12 1 5 4 9 1 6 4 38 1 7 5 19 2 8 6 20 2 9 7 10 1 10 7 19 am 11 7 36 1 12 8 9 1 13 8 13 1 14 8 14 1 15 9 10 1 16 9 28 1 17 10 11 1 18 10 29 1 19 11 12 ar 20 11 15 ar 21 12 16 ar 22 13 30 1 23 13 31 1 24 13 32 1 25 14 33 1 26 14 34 1 27 14 35 1 28 15 17 ar 29 15 37 1 30 16 18 ar 31 16 39 1 32 17 18 ar 33 17 20 1 34 18 40 1 35 19 21 1 36 20 22 1 37 21 23 ar 38 21 24 ar 39 22 41 1 40 22 42 1 41 22 43 1 42 23 25 ar 43 23 44 1 44 24 26 ar 45 24 45 1 46 25 27 ar 47 26 27 ar 48 26 46 1