@MOLECULE diphosphoric acid, mono(3,8-dimethyl-7-decen-1-yl) ester, ion(3-) 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.1400 1.4867 0.5446 P.3 1 UNL1111111111 0.3625 2 P 2.3096 -1.3216 -0.7911 P.3 1 UNL1111111111 0.3851 3 O 0.8541 2.2059 -0.0158 O.3 1 UNL1111111111 -0.1504 4 O 2.2772 0.1347 -0.2270 O.3 1 UNL1111111111 -0.3539 5 O 1.7053 1.0487 2.0188 O.3 1 UNL1111111111 -0.3797 6 O 3.3357 2.2899 0.3809 O.2 1 UNL1111111111 -0.2187 7 O 3.7423 -1.3749 -1.4617 O.3 1 UNL1111111111 -0.2516 8 O 2.5380 -2.1994 0.5246 O.3 1 UNL1111111111 -0.3822 9 O 1.2228 -1.6817 -1.6758 O.2 1 UNL1111111111 -0.2252 10 C -2.7780 2.4990 -0.6039 C.3 1 UNL1111111111 -0.0777 11 C -3.3218 1.0647 -0.4823 C.3 1 UNL1111111111 -0.2966 12 C -1.2568 2.5432 -0.8297 C.3 1 UNL1111111111 -0.3150 13 C -3.1147 0.2511 -1.7651 C.3 1 UNL1111111111 -0.2642 14 C -3.1609 3.2956 0.6501 C.3 1 UNL1111111111 -0.4592 15 C -3.4153 -1.2382 -1.5228 C.3 1 UNL1111111111 -0.2788 16 C -0.4870 1.6650 0.1696 C.3 1 UNL1111111111 -0.0303 17 C -2.3570 -1.8424 -0.6585 C.2 1 UNL1111111111 -0.2046 18 C -2.5319 -2.2622 0.6008 C.2 1 UNL1111111111 0.0065 19 C -1.3862 -2.8522 1.3754 C.3 1 UNL1111111111 -0.2712 20 C -3.8338 -2.1983 1.3285 C.3 1 UNL1111111111 -0.4583 21 C -0.7720 -1.7987 2.3013 C.3 1 UNL1111111111 -0.4308 22 H -3.2636 2.9821 -1.4888 H 1 UNL1111111111 0.1299 23 H -4.3991 1.0979 -0.2348 H 1 UNL1111111111 0.1321 24 H -2.8428 0.5454 0.3713 H 1 UNL1111111111 0.1515 25 H -1.0125 2.2221 -1.8608 H 1 UNL1111111111 0.1526 26 H -0.8968 3.5917 -0.7585 H 1 UNL1111111111 0.1536 27 H -2.0724 0.3597 -2.1273 H 1 UNL1111111111 0.1553 28 H -3.7617 0.6407 -2.5709 H 1 UNL1111111111 0.1286 29 H -2.7998 4.3282 0.5925 H 1 UNL1111111111 0.1448 30 H -4.2484 3.3353 0.7816 H 1 UNL1111111111 0.1401 31 H -2.7373 2.8517 1.5577 H 1 UNL1111111111 0.1471 32 H -3.4506 -1.7745 -2.4940 H 1 UNL1111111111 0.1426 33 H -4.4265 -1.3565 -1.0908 H 1 UNL1111111111 0.1379 34 H -0.8185 1.8312 1.2117 H 1 UNL1111111111 0.1262 35 H -0.5879 0.5925 -0.0876 H 1 UNL1111111111 0.1496 36 H -1.3772 -1.9059 -1.1410 H 1 UNL1111111111 0.1695 37 H -1.7284 -3.7263 1.9635 H 1 UNL1111111111 0.1360 38 H -0.6141 -3.2512 0.6861 H 1 UNL1111111111 0.1480 39 H -4.4848 -3.0354 1.0379 H 1 UNL1111111111 0.1544 40 H -3.7076 -2.2484 2.4174 H 1 UNL1111111111 0.1492 41 H -4.3819 -1.2699 1.1145 H 1 UNL1111111111 0.1529 42 H -0.5029 -0.8894 1.7459 H 1 UNL1111111111 0.1635 43 H 0.1304 -2.1716 2.7943 H 1 UNL1111111111 0.1335 44 H -1.4761 -1.4949 3.0837 H 1 UNL1111111111 0.1390 45 H 2.4708 0.5272 2.4482 H 1 UNL1111111111 0.3187 46 H 4.4030 -0.8589 -0.8548 H 1 UNL1111111111 0.3183 47 H 1.6387 -2.3060 1.0020 H 1 UNL1111111111 0.3191 @BOND 1 1 3 1 2 1 4 1 3 1 5 1 4 1 6 2 5 2 4 1 6 2 7 1 7 2 8 1 8 2 9 2 9 3 16 1 10 5 45 1 11 7 46 1 12 8 47 1 13 10 11 1 14 10 12 1 15 10 14 1 16 10 22 1 17 11 13 1 18 11 23 1 19 11 24 1 20 12 16 1 21 12 25 1 22 12 26 1 23 13 15 1 24 13 27 1 25 13 28 1 26 14 29 1 27 14 30 1 28 14 31 1 29 15 17 1 30 15 32 1 31 15 33 1 32 16 34 1 33 16 35 1 34 17 18 2 35 17 36 1 36 18 19 1 37 18 20 1 38 19 21 1 39 19 37 1 40 19 38 1 41 20 39 1 42 20 40 1 43 20 41 1 44 21 42 1 45 21 43 1 46 21 44 1