@MOLECULE diisopropyl sebacate 50 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.7161 -0.5378 0.1614 O.3 1 UNL1111111111 -0.4664 2 O 6.7222 0.5262 0.1612 O.3 1 UNL1111111111 -0.4660 3 O -5.7429 1.4861 0.0901 O.2 1 UNL1111111111 -0.5202 4 O 5.7220 -1.4839 0.0702 O.2 1 UNL1111111111 -0.5207 5 C -0.6428 0.4344 -0.0585 C.3 1 UNL1111111111 -0.2733 6 C 0.6445 -0.3984 -0.0488 C.3 1 UNL1111111111 -0.2732 7 C -1.8787 -0.4734 -0.0212 C.3 1 UNL1111111111 -0.2700 8 C 1.8816 0.5089 -0.0647 C.3 1 UNL1111111111 -0.2700 9 C -3.1608 0.3654 -0.0002 C.3 1 UNL1111111111 -0.2541 10 C 3.1584 -0.3363 -0.0008 C.3 1 UNL1111111111 -0.2541 11 C -4.3936 -0.5402 0.0400 C.3 1 UNL1111111111 -0.3523 12 C 4.4000 0.5584 0.0064 C.3 1 UNL1111111111 -0.3522 13 C -5.6441 0.2861 0.0945 C.2 1 UNL1111111111 0.6165 14 C 5.6401 -0.2824 0.0775 C.2 1 UNL1111111111 0.6164 15 C -8.0250 0.0625 0.2019 C.3 1 UNL1111111111 0.1900 16 C 8.0223 -0.0924 0.2140 C.3 1 UNL1111111111 0.1900 17 C -8.9009 -1.0537 0.7627 C.3 1 UNL1111111111 -0.4767 18 C -8.4121 0.4630 -1.2161 C.3 1 UNL1111111111 -0.4952 19 C 8.9080 1.0107 0.7848 C.3 1 UNL1111111111 -0.4767 20 C 8.4181 -0.4969 -1.2005 C.3 1 UNL1111111111 -0.4953 21 H -0.6540 1.1241 0.8066 H 1 UNL1111111111 0.1386 22 H -0.6719 1.0780 -0.9576 H 1 UNL1111111111 0.1381 23 H 0.6656 -1.0510 0.8444 H 1 UNL1111111111 0.1386 24 H 0.6630 -1.0791 -0.9205 H 1 UNL1111111111 0.1381 25 H -1.8779 -1.1484 -0.8976 H 1 UNL1111111111 0.1376 26 H -1.8382 -1.1295 0.8687 H 1 UNL1111111111 0.1377 27 H 1.8458 1.2124 0.7883 H 1 UNL1111111111 0.1378 28 H 1.8808 1.1348 -0.9766 H 1 UNL1111111111 0.1376 29 H -3.2052 1.0302 -0.8863 H 1 UNL1111111111 0.1525 30 H -3.1624 1.0494 0.8726 H 1 UNL1111111111 0.1532 31 H 3.2013 -1.0389 -0.8572 H 1 UNL1111111111 0.1533 32 H 3.1505 -0.9815 0.9007 H 1 UNL1111111111 0.1525 33 H -4.4245 -1.2080 -0.8474 H 1 UNL1111111111 0.1767 34 H -4.3564 -1.2226 0.9161 H 1 UNL1111111111 0.1772 35 H 4.4341 1.1980 -0.9011 H 1 UNL1111111111 0.1766 36 H 4.3742 1.2677 0.8610 H 1 UNL1111111111 0.1771 37 H -7.9865 0.9429 0.8822 H 1 UNL1111111111 0.1363 38 H 7.9643 -0.9729 0.8929 H 1 UNL1111111111 0.1363 39 H -8.5587 -1.3622 1.7586 H 1 UNL1111111111 0.1578 40 H -9.9443 -0.7327 0.8450 H 1 UNL1111111111 0.1544 41 H -8.8689 -1.9451 0.1233 H 1 UNL1111111111 0.1609 42 H -7.7622 1.2691 -1.5859 H 1 UNL1111111111 0.1678 43 H -9.4449 0.8237 -1.2622 H 1 UNL1111111111 0.1549 44 H -8.3173 -0.3792 -1.9113 H 1 UNL1111111111 0.1581 45 H 8.5599 1.3236 1.7772 H 1 UNL1111111111 0.1579 46 H 9.9458 0.6745 0.8778 H 1 UNL1111111111 0.1544 47 H 8.8955 1.9029 0.1459 H 1 UNL1111111111 0.1609 48 H 7.7610 -1.2936 -1.5778 H 1 UNL1111111111 0.1679 49 H 9.4463 -0.8716 -1.2367 H 1 UNL1111111111 0.1550 50 H 8.3418 0.3473 -1.8957 H 1 UNL1111111111 0.1581 @BOND 1 1 13 1 2 1 15 1 3 2 14 1 4 2 16 1 5 3 13 2 6 4 14 2 7 5 6 1 8 5 7 1 9 5 21 1 10 5 22 1 11 6 8 1 12 6 23 1 13 6 24 1 14 7 9 1 15 7 25 1 16 7 26 1 17 8 10 1 18 8 27 1 19 8 28 1 20 9 11 1 21 9 29 1 22 9 30 1 23 10 12 1 24 10 31 1 25 10 32 1 26 11 13 1 27 11 33 1 28 11 34 1 29 12 14 1 30 12 35 1 31 12 36 1 32 15 17 1 33 15 18 1 34 15 37 1 35 16 19 1 36 16 20 1 37 16 38 1 38 17 39 1 39 17 40 1 40 17 41 1 41 18 42 1 42 18 43 1 43 18 44 1 44 19 45 1 45 19 46 1 46 19 47 1 47 20 48 1 48 20 49 1 49 20 50 1