@MOLECULE 8-(2-octyl-1-cyclopropen-1-yl)octanoic acid 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6429 1.5633 0.0073 O.3 1 UNL1111111111 -0.5748 2 O -5.6898 2.6171 -0.1679 O.2 1 UNL1111111111 -0.5057 3 C 3.1300 -3.5357 -0.0479 C.2 1 UNL1111111111 -0.0604 4 C 1.9408 -4.0966 -0.0112 C.2 1 UNL1111111111 -0.0681 5 C 3.1113 -5.0396 -0.0631 C.3 1 UNL1111111111 -0.3672 6 C 4.0181 -2.3921 -0.0690 C.3 1 UNL1111111111 -0.2424 7 C 0.4935 -4.0807 0.0431 C.3 1 UNL1111111111 -0.2416 8 C 3.2188 -1.0798 -0.0044 C.3 1 UNL1111111111 -0.2628 9 C -0.0564 -2.6450 0.0272 C.3 1 UNL1111111111 -0.2624 10 C 4.1510 0.1352 -0.0429 C.3 1 UNL1111111111 -0.2709 11 C -1.5871 -2.6539 0.0926 C.3 1 UNL1111111111 -0.2750 12 C 3.3366 1.4341 0.0195 C.3 1 UNL1111111111 -0.2671 13 C -2.1371 -1.2234 0.0280 C.3 1 UNL1111111111 -0.2649 14 C 4.2624 2.6566 -0.0009 C.3 1 UNL1111111111 -0.2788 15 C -3.6700 -1.2332 0.0882 C.3 1 UNL1111111111 -0.2754 16 C 3.4464 3.9544 0.0465 C.3 1 UNL1111111111 -0.2731 17 C -4.2237 0.1927 -0.0003 C.3 1 UNL1111111111 -0.2578 18 C 4.3689 5.1801 0.0096 C.3 1 UNL1111111111 -0.2513 19 C -5.7539 0.1851 0.0590 C.3 1 UNL1111111111 -0.3480 20 C 3.5563 6.4746 0.0384 C.3 1 UNL1111111111 -0.4395 21 C -6.2821 1.5783 -0.0483 C.2 1 UNL1111111111 0.6469 22 H 3.4053 -5.6095 0.8119 H 1 UNL1111111111 0.1491 23 H 3.3449 -5.5891 -0.9687 H 1 UNL1111111111 0.1491 24 H 4.7375 -2.4446 0.7802 H 1 UNL1111111111 0.1582 25 H 4.6501 -2.4108 -0.9865 H 1 UNL1111111111 0.1584 26 H 0.0717 -4.6590 -0.8116 H 1 UNL1111111111 0.1573 27 H 0.1398 -4.6136 0.9557 H 1 UNL1111111111 0.1574 28 H 2.6053 -1.0627 0.9165 H 1 UNL1111111111 0.1414 29 H 2.5017 -1.0386 -0.8462 H 1 UNL1111111111 0.1417 30 H 0.2874 -2.1237 -0.8865 H 1 UNL1111111111 0.1432 31 H 0.3622 -2.0734 0.8775 H 1 UNL1111111111 0.1431 32 H 4.8654 0.0950 0.8009 H 1 UNL1111111111 0.1369 33 H 4.7647 0.1167 -0.9624 H 1 UNL1111111111 0.1369 34 H -1.9246 -3.1500 1.0223 H 1 UNL1111111111 0.1364 35 H -1.9997 -3.2556 -0.7390 H 1 UNL1111111111 0.1365 36 H 2.7126 1.4479 0.9328 H 1 UNL1111111111 0.1372 37 H 2.6315 1.4798 -0.8316 H 1 UNL1111111111 0.1374 38 H -1.7957 -0.7294 -0.9014 H 1 UNL1111111111 0.1404 39 H -1.7269 -0.6205 0.8603 H 1 UNL1111111111 0.1403 40 H 4.8933 2.6395 -0.9091 H 1 UNL1111111111 0.1362 41 H 4.9618 2.6180 0.8549 H 1 UNL1111111111 0.1360 42 H -4.0739 -1.8505 -0.7354 H 1 UNL1111111111 0.1374 43 H -4.0066 -1.7164 1.0245 H 1 UNL1111111111 0.1373 44 H 2.8234 3.9785 0.9598 H 1 UNL1111111111 0.1367 45 H 2.7391 3.9893 -0.8028 H 1 UNL1111111111 0.1371 46 H -3.8142 0.8171 0.8188 H 1 UNL1111111111 0.1533 47 H -3.8817 0.6814 -0.9347 H 1 UNL1111111111 0.1539 48 H 5.0007 5.1510 -0.8983 H 1 UNL1111111111 0.1334 49 H 5.0681 5.1534 0.8665 H 1 UNL1111111111 0.1332 50 H -6.1803 -0.4429 -0.7541 H 1 UNL1111111111 0.1814 51 H -6.1134 -0.2838 1.0013 H 1 UNL1111111111 0.1813 52 H 4.2085 7.3540 0.0006 H 1 UNL1111111111 0.1401 53 H 2.8709 6.5363 -0.8143 H 1 UNL1111111111 0.1430 54 H 2.9544 6.5495 0.9509 H 1 UNL1111111111 0.1428 55 H -8.0537 2.4587 -0.0599 H 1 UNL1111111111 0.3561 @BOND 1 1 21 1 2 1 55 1 3 2 21 2 4 3 4 2 5 3 5 1 6 3 6 1 7 4 5 1 8 4 7 1 9 5 22 1 10 5 23 1 11 6 8 1 12 6 24 1 13 6 25 1 14 7 9 1 15 7 26 1 16 7 27 1 17 8 10 1 18 8 28 1 19 8 29 1 20 9 11 1 21 9 30 1 22 9 31 1 23 10 12 1 24 10 32 1 25 10 33 1 26 11 13 1 27 11 34 1 28 11 35 1 29 12 14 1 30 12 36 1 31 12 37 1 32 13 15 1 33 13 38 1 34 13 39 1 35 14 16 1 36 14 40 1 37 14 41 1 38 15 17 1 39 15 42 1 40 15 43 1 41 16 18 1 42 16 44 1 43 16 45 1 44 17 19 1 45 17 46 1 46 17 47 1 47 18 20 1 48 18 48 1 49 18 49 1 50 19 21 1 51 19 50 1 52 19 51 1 53 20 52 1 54 20 53 1 55 20 54 1