@MOLECULE (2s,3r)-6-oxo-2-[(2s,3r)-3-phenyl-2-oxiranyl]-3,6-dihydro-2h-pyran-3-yl (2e)-3-phenylacrylate 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1100 -2.6051 -0.8347 O.3 1 UNL1111111111 -0.3220 2 O 3.5664 0.2899 -1.2521 O.3 1 UNL1111111111 -0.3936 3 O 1.6064 1.1198 0.7815 O.3 1 UNL1111111111 -0.4030 4 O 4.6513 1.9693 -2.1099 O.2 1 UNL1111111111 -0.4216 5 O 0.4604 -0.0563 2.3192 O.2 1 UNL1111111111 -0.5215 6 C 1.9293 -1.2061 -0.6213 C.3 1 UNL1111111111 -0.0205 7 C 1.2485 -2.2211 0.2440 C.3 1 UNL1111111111 -0.0059 8 C 3.1507 -0.4630 -0.1182 C.3 1 UNL1111111111 0.0633 9 C 2.8025 0.4125 1.1024 C.3 1 UNL1111111111 0.0459 10 C -0.1939 -2.4912 0.0725 C.ar 1 UNL1111111111 -0.0406 11 C 3.8356 1.4807 1.3096 C.2 1 UNL1111111111 -0.1051 12 C -1.0272 -2.4777 1.1939 C.ar 1 UNL1111111111 -0.1465 13 C -0.7263 -2.7540 -1.1910 C.ar 1 UNL1111111111 -0.1289 14 C 4.2862 1.4404 -1.0934 C.2 1 UNL1111111111 0.5893 15 C 4.5366 1.9388 0.2722 C.2 1 UNL1111111111 -0.2570 16 C -2.3894 -2.7267 1.0485 C.ar 1 UNL1111111111 -0.1609 17 C -2.0903 -2.9988 -1.3319 C.ar 1 UNL1111111111 -0.1495 18 C -2.9220 -2.9881 -0.2133 C.ar 1 UNL1111111111 -0.1514 19 C 0.4549 0.7319 1.4060 C.2 1 UNL1111111111 0.6188 20 C -0.6857 1.3859 0.7626 C.2 1 UNL1111111111 -0.2972 21 C -1.9114 0.8616 0.9039 C.2 1 UNL1111111111 -0.0213 22 C -3.0949 1.3958 0.2356 C.ar 1 UNL1111111111 -0.0466 23 C -3.3295 2.7719 0.1677 C.ar 1 UNL1111111111 -0.1284 24 C -4.0001 0.5012 -0.3456 C.ar 1 UNL1111111111 -0.1376 25 C -4.4668 3.2482 -0.4807 C.ar 1 UNL1111111111 -0.1521 26 C -5.1284 0.9838 -1.0012 C.ar 1 UNL1111111111 -0.1505 27 C -5.3636 2.3571 -1.0673 C.ar 1 UNL1111111111 -0.1339 28 H 1.3826 -0.6854 -1.4197 H 1 UNL1111111111 0.1890 29 H 1.6559 -2.4554 1.2365 H 1 UNL1111111111 0.1663 30 H 3.9932 -1.1585 0.1153 H 1 UNL1111111111 0.1621 31 H 2.6629 -0.2209 2.0137 H 1 UNL1111111111 0.1737 32 H 3.9463 1.8565 2.3247 H 1 UNL1111111111 0.1648 33 H -0.6120 -2.2670 2.1823 H 1 UNL1111111111 0.1694 34 H -0.0693 -2.7767 -2.0624 H 1 UNL1111111111 0.1696 35 H 5.3000 2.7142 0.3466 H 1 UNL1111111111 0.1863 36 H -3.0368 -2.7254 1.9233 H 1 UNL1111111111 0.1511 37 H -2.5049 -3.2038 -2.3172 H 1 UNL1111111111 0.1526 38 H -3.9849 -3.1928 -0.3234 H 1 UNL1111111111 0.1479 39 H -0.4664 2.2591 0.1479 H 1 UNL1111111111 0.1939 40 H -2.0788 -0.0355 1.5192 H 1 UNL1111111111 0.1755 41 H -2.6285 3.4689 0.6251 H 1 UNL1111111111 0.1578 42 H -3.8133 -0.5728 -0.2948 H 1 UNL1111111111 0.1621 43 H -4.6534 4.3195 -0.5320 H 1 UNL1111111111 0.1523 44 H -5.8281 0.2896 -1.4630 H 1 UNL1111111111 0.1527 45 H -6.2483 2.7326 -1.5785 H 1 UNL1111111111 0.1510 @BOND 1 1 6 1 2 1 7 1 3 2 8 1 4 2 14 1 5 3 9 1 6 3 19 1 7 4 14 2 8 5 19 2 9 6 7 1 10 6 8 1 11 6 28 1 12 7 10 1 13 7 29 1 14 8 9 1 15 8 30 1 16 9 11 1 17 9 31 1 18 10 12 ar 19 10 13 ar 20 11 15 2 21 11 32 1 22 12 16 ar 23 12 33 1 24 13 17 ar 25 13 34 1 26 14 15 1 27 15 35 1 28 16 18 ar 29 16 36 1 30 17 18 ar 31 17 37 1 32 18 38 1 33 19 20 1 34 20 21 2 35 20 39 1 36 21 22 1 37 21 40 1 38 22 23 ar 39 22 24 ar 40 23 25 ar 41 23 41 1 42 24 26 ar 43 24 42 1 44 25 27 ar 45 25 43 1 46 26 27 ar 47 26 44 1 48 27 45 1