@MOLECULE 4-[4-(3-buten-2-yl)-2,6,7-trioxabicyclo[2.2.2]oct-1-yl]benzonitrile 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3884 1.4166 -0.5408 O.3 1 UNL1111111111 -0.4477 2 O 0.4542 -0.0275 1.2513 O.3 1 UNL1111111111 -0.4377 3 O 0.4711 -0.8544 -0.8949 O.3 1 UNL1111111111 -0.4376 4 N -6.8488 -0.3375 0.0908 N.1 1 UNL1111111111 -0.2413 5 C 2.4576 0.2569 -0.0697 C.3 1 UNL1111111111 -0.1079 6 C 3.9890 0.3081 -0.1291 C.3 1 UNL1111111111 -0.1091 7 C 1.8049 1.5627 -0.5642 C.3 1 UNL1111111111 -0.0299 8 C 1.8765 0.0003 1.3324 C.3 1 UNL1111111111 -0.0327 9 C 1.8925 -0.8591 -0.9735 C.3 1 UNL1111111111 -0.0368 10 C -0.0226 0.1626 -0.0584 C.3 1 UNL1111111111 0.5993 11 C 4.5731 1.4042 0.7707 C.3 1 UNL1111111111 -0.4473 12 C -1.5188 0.0770 -0.0346 C.ar 1 UNL1111111111 -0.0274 13 C 4.5736 -1.0160 0.2797 C.2 1 UNL1111111111 -0.1344 14 C -2.2987 1.1832 -0.3689 C.ar 1 UNL1111111111 -0.1136 15 C -2.1029 -1.1357 0.3324 C.ar 1 UNL1111111111 -0.1091 16 C 5.2170 -1.8167 -0.5682 C.2 1 UNL1111111111 -0.3191 17 C -3.6863 1.0754 -0.3370 C.ar 1 UNL1111111111 -0.1227 18 C -3.4903 -1.2460 0.3651 C.ar 1 UNL1111111111 -0.1227 19 C -4.2768 -0.1388 0.0300 C.ar 1 UNL1111111111 -0.0149 20 C -5.6950 -0.2486 0.0634 C.1 1 UNL1111111111 0.1104 21 H 4.2811 0.5393 -1.1886 H 1 UNL1111111111 0.1504 22 H 2.0198 2.4278 0.0865 H 1 UNL1111111111 0.1402 23 H 2.0578 1.8023 -1.6110 H 1 UNL1111111111 0.1387 24 H 2.1667 -0.9796 1.7484 H 1 UNL1111111111 0.1393 25 H 2.1104 0.8025 2.0531 H 1 UNL1111111111 0.1405 26 H 2.1328 -0.7120 -2.0400 H 1 UNL1111111111 0.1393 27 H 2.2028 -1.8692 -0.6536 H 1 UNL1111111111 0.1451 28 H 4.2384 2.4020 0.4672 H 1 UNL1111111111 0.1487 29 H 5.6700 1.4022 0.7206 H 1 UNL1111111111 0.1555 30 H 4.2997 1.2659 1.8225 H 1 UNL1111111111 0.1505 31 H 4.4437 -1.2718 1.3305 H 1 UNL1111111111 0.1464 32 H -1.8249 2.1262 -0.6537 H 1 UNL1111111111 0.1803 33 H -1.4689 -1.9875 0.5897 H 1 UNL1111111111 0.1771 34 H 5.6472 -2.7640 -0.2795 H 1 UNL1111111111 0.1486 35 H 5.3719 -1.5953 -1.6127 H 1 UNL1111111111 0.1469 36 H -4.3080 1.9324 -0.5966 H 1 UNL1111111111 0.1674 37 H -3.9586 -2.1879 0.6496 H 1 UNL1111111111 0.1675 @BOND 1 1 7 1 2 1 10 1 3 2 8 1 4 2 10 1 5 3 9 1 6 3 10 1 7 4 20 3 8 5 6 1 9 5 7 1 10 5 8 1 11 5 9 1 12 6 11 1 13 6 13 1 14 6 21 1 15 7 22 1 16 7 23 1 17 8 24 1 18 8 25 1 19 9 26 1 20 9 27 1 21 10 12 1 22 11 28 1 23 11 29 1 24 11 30 1 25 12 14 ar 26 12 15 ar 27 13 16 2 28 13 31 1 29 14 17 ar 30 14 32 1 31 15 18 ar 32 15 33 1 33 16 34 1 34 16 35 1 35 17 19 ar 36 17 36 1 37 18 19 ar 38 18 37 1 39 19 20 1