@MOLECULE indium acetylacetonate 43 42 0 0 0 SMALL USER_CHARGES @ATOM 1 IN -0.0149 0.0086 0.0026 In 1 UNL111111 1.1042 2 O 1.5636 0.8436 1.2321 O.2 1 UNL111111 -0.5169 3 O 0.3532 1.7667 -1.2092 O.2 1 UNL111111 -0.5163 4 O -1.5520 0.8929 1.2466 O.2 1 UNL111111 -0.5177 5 O 1.2838 -1.1744 -1.2685 O.2 1 UNL111111 -0.5162 6 C -2.9281 -0.3144 -1.0611 C.2 1 UNL111111 0.5871 7 C -3.5089 0.3792 0.0039 C.2 1 UNL111111 -0.6781 8 C -2.7949 0.9246 1.0742 C.2 1 UNL111111 0.5878 9 C -3.5334 1.6419 2.1747 C.3 1 UNL111111 -0.5169 10 C -3.8053 -0.8821 -2.1473 C.3 1 UNL111111 -0.5171 11 C 2.6302 -2.8109 -2.1947 C.3 1 UNL111111 -0.5171 12 C 1.4381 -3.1867 -0.0171 C.2 1 UNL111111 -0.6784 13 C 0.6105 -2.8552 1.0591 C.2 1 UNL111111 0.5872 14 C 0.3838 -3.8584 2.1607 C.3 1 UNL111111 -0.5169 15 C 1.7168 -2.3390 -1.0928 C.2 1 UNL111111 0.5868 16 C 1.2024 2.6771 -1.0480 C.2 1 UNL111111 0.5871 17 C 2.1169 2.7981 0.0020 C.2 1 UNL111111 -0.6782 18 C 2.2327 1.8913 1.0593 C.2 1 UNL111111 0.5867 19 C 3.2550 2.1345 2.1395 C.3 1 UNL111111 -0.5172 20 C 1.1730 3.7216 -2.1338 C.3 1 UNL111111 -0.5169 21 H -4.5857 0.4972 0.0028 H 1 UNL111111 0.1783 22 H -2.8394 2.0412 2.9302 H 1 UNL111111 0.1776 23 H -4.2256 0.9613 2.6867 H 1 UNL111111 0.1683 24 H -4.1148 2.4821 1.7754 H 1 UNL111111 0.1669 25 H -4.5280 -1.5959 -1.7331 H 1 UNL111111 0.1670 26 H -3.2104 -1.4091 -2.9091 H 1 UNL111111 0.1775 27 H -4.3656 -0.0866 -2.6546 H 1 UNL111111 0.1679 28 H 2.7993 -2.0210 -2.9423 H 1 UNL111111 0.1772 29 H 2.1956 -3.6732 -2.7165 H 1 UNL111111 0.1685 30 H 3.6067 -3.1116 -1.7961 H 1 UNL111111 0.1664 31 H 1.8958 -4.1685 -0.0180 H 1 UNL111111 0.1782 32 H -0.2703 -3.4507 2.9467 H 1 UNL111111 0.1775 33 H 1.3327 -4.1432 2.6321 H 1 UNL111111 0.1675 34 H -0.0890 -4.7680 1.7704 H 1 UNL111111 0.1672 35 H 2.7812 3.6537 -0.0037 H 1 UNL111111 0.1784 36 H 4.2693 2.1523 1.7218 H 1 UNL111111 0.1673 37 H 3.2219 1.3469 2.9079 H 1 UNL111111 0.1775 38 H 3.0758 3.0951 2.6389 H 1 UNL111111 0.1679 39 H 0.3991 3.4986 -2.8844 H 1 UNL111111 0.1776 40 H 2.1373 3.7692 -2.6554 H 1 UNL111111 0.1680 41 H 0.9610 4.7145 -1.7184 H 1 UNL111111 0.1670 42 O -1.7067 -0.5433 -1.2357 O.2 1 UNL111111 -0.5163 43 O -0.0052 -1.7754 1.2336 O.2 1 UNL111111 -0.5165 @BOND 1 28 11 1 2 26 10 1 3 39 20 1 4 29 11 1 5 40 20 1 6 27 10 1 7 11 30 1 8 11 15 1 9 10 25 1 10 10 6 1 11 20 41 1 12 20 16 1 13 5 15 2 14 42 6 2 15 3 16 1 16 3 1 1 17 15 12 1 18 6 7 1 19 16 17 2 20 31 12 1 21 12 13 2 22 35 17 1 23 17 18 1 24 21 7 1 25 1 43 1 26 1 4 1 27 7 8 2 28 13 43 1 29 13 14 1 30 18 2 2 31 18 19 1 32 8 4 1 33 8 9 1 34 36 19 1 35 34 14 1 36 24 9 1 37 19 38 1 38 19 37 1 39 14 33 1 40 14 32 1 41 9 23 1 42 9 22 1