@MOLECULE (6e,9e,12e,15e)-1,1,1-trifluoro-6,9,12,15-henicosatetraen-2-one 56 55 0 0 0 SMALL GASTEIGER @ATOM 1 F 3.1571 -0.5861 1.5774 F 1 UNL1111 -0.2004 2 F 4.3616 -0.7233 -0.1544 F 1 UNL1111 -0.1781 3 F 4.6589 0.8606 1.2234 F 1 UNL1111 -0.1943 4 O 2.9620 1.2120 -1.3431 O.2 1 UNL1111 -0.3336 5 C 0.2015 -0.5344 -2.3484 C.3 1 UNL1111 -0.2582 6 C -1.3219 -0.6856 -2.4338 C.3 1 UNL1111 -0.2763 7 C 0.8891 -1.8956 -2.1456 C.3 1 UNL1111 -0.2822 8 C -2.0041 0.6859 -2.5035 C.3 1 UNL1111 -0.2627 9 C 0.8901 2.7136 -0.2138 C.3 1 UNL1111 -0.2420 10 C 0.6080 -2.4117 -0.7721 C.2 1 UNL1111 -0.1510 11 C -3.4994 0.5351 -2.7836 C.3 1 UNL1111 -0.4376 12 C -0.2132 3.3990 0.6027 C.3 1 UNL1111 -0.2789 13 C 1.5743 1.5962 0.5838 C.3 1 UNL1111 -0.3634 14 C -0.2517 -3.4052 -0.5311 C.2 1 UNL1111 -0.1581 15 C -1.4227 2.5317 0.7339 C.2 1 UNL1111 -0.1686 16 C -0.5866 -3.8553 0.8591 C.3 1 UNL1111 -0.2884 17 C 2.7182 1.0385 -0.1870 C.2 1 UNL1111 0.4090 18 C -2.6616 2.9817 0.5167 C.2 1 UNL1111 -0.1569 19 C -3.8846 2.1259 0.6344 C.3 1 UNL1111 -0.2890 20 C -1.9086 -3.2506 1.2254 C.2 1 UNL1111 -0.1492 21 C -3.3171 -1.4112 2.1356 C.3 1 UNL1111 -0.2866 22 C -3.6909 0.9908 1.5907 C.2 1 UNL1111 -0.1624 23 C -2.0049 -2.0611 1.8248 C.2 1 UNL1111 -0.1578 24 C -3.5243 -0.2709 1.1878 C.2 1 UNL1111 -0.1555 25 C 3.7182 0.1428 0.6169 C.3 1 UNL1111 0.4179 26 H 0.5858 -0.0589 -3.2708 H 1 UNL1111 0.1396 27 H 0.4680 0.1488 -1.5219 H 1 UNL1111 0.1310 28 H -1.6957 -1.2489 -1.5563 H 1 UNL1111 0.1449 29 H -1.5921 -1.2926 -3.3173 H 1 UNL1111 0.1383 30 H 1.9830 -1.7898 -2.2995 H 1 UNL1111 0.1488 31 H 0.5535 -2.6052 -2.9267 H 1 UNL1111 0.1439 32 H -1.8491 1.2333 -1.5523 H 1 UNL1111 0.1392 33 H -1.5346 1.3065 -3.2895 H 1 UNL1111 0.1351 34 H 0.4655 2.3083 -1.1563 H 1 UNL1111 0.1590 35 H 1.6405 3.4650 -0.5316 H 1 UNL1111 0.1482 36 H 1.1344 -1.9006 0.0294 H 1 UNL1111 0.1372 37 H 0.1612 3.6690 1.6128 H 1 UNL1111 0.1497 38 H -0.4685 4.3678 0.1246 H 1 UNL1111 0.1445 39 H -3.6764 0.0417 -3.7464 H 1 UNL1111 0.1447 40 H -3.9936 -0.0670 -2.0127 H 1 UNL1111 0.1397 41 H -3.9971 1.5101 -2.8186 H 1 UNL1111 0.1375 42 H 1.9022 1.9777 1.5759 H 1 UNL1111 0.1839 43 H 0.8385 0.7894 0.8170 H 1 UNL1111 0.1927 44 H -0.7864 -3.9214 -1.3237 H 1 UNL1111 0.1437 45 H -1.2309 1.5005 1.0289 H 1 UNL1111 0.1544 46 H 0.2041 -3.5638 1.5819 H 1 UNL1111 0.1528 47 H -0.6281 -4.9629 0.9124 H 1 UNL1111 0.1488 48 H -2.8588 4.0089 0.2158 H 1 UNL1111 0.1406 49 H -4.7546 2.7395 0.9570 H 1 UNL1111 0.1517 50 H -4.1565 1.7541 -0.3814 H 1 UNL1111 0.1623 51 H -2.7797 -3.8337 0.9383 H 1 UNL1111 0.1437 52 H -4.1616 -2.1288 2.0448 H 1 UNL1111 0.1544 53 H -3.3357 -1.0771 3.1946 H 1 UNL1111 0.1512 54 H -3.6828 1.2762 2.6402 H 1 UNL1111 0.1461 55 H -1.1300 -1.4768 2.1011 H 1 UNL1111 0.1450 56 H -3.5141 -0.5506 0.1346 H 1 UNL1111 0.1511 @BOND 1 1 25 1 2 2 25 1 3 3 25 1 4 4 17 2 5 5 6 1 6 5 7 1 7 5 26 1 8 5 27 1 9 6 8 1 10 6 28 1 11 6 29 1 12 7 10 1 13 7 30 1 14 7 31 1 15 8 11 1 16 8 32 1 17 8 33 1 18 9 12 1 19 9 13 1 20 9 34 1 21 9 35 1 22 10 14 2 23 10 36 1 24 11 39 1 25 11 40 1 26 11 41 1 27 12 15 1 28 12 37 1 29 12 38 1 30 13 17 1 31 13 42 1 32 13 43 1 33 14 16 1 34 14 44 1 35 15 18 2 36 15 45 1 37 16 20 1 38 16 46 1 39 16 47 1 40 17 25 1 41 18 19 1 42 18 48 1 43 19 22 1 44 19 49 1 45 19 50 1 46 20 23 2 47 20 51 1 48 21 23 1 49 21 24 1 50 21 52 1 51 21 53 1 52 22 24 2 53 22 54 1 54 23 55 1 55 24 56 1