@MOLECULE 3-methylbutyl trihydrogen diphosphate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.9170 -1.2976 0.1498 P.3 1 UNL11111 0.3818 2 O 1.3099 -1.9688 -1.1647 O.3 1 UNL11111 -0.3734 3 O 3.4232 -1.0770 -0.2789 O.3 1 UNL11111 -0.2681 4 O 1.7570 -1.9783 1.4168 O.2 1 UNL11111 -0.1981 5 O 1.2267 0.1072 0.2132 O.3 1 UNL11111 -0.3508 6 P 0.7638 1.5732 -0.1169 P.3 1 UNL11111 0.3532 7 O 1.3824 2.3794 1.1042 O.3 1 UNL11111 -0.2597 8 O 1.0780 2.1162 -1.4217 O.2 1 UNL11111 -0.2365 9 O -0.7512 1.5024 0.3895 O.3 1 UNL11111 -0.2505 10 C -1.8374 1.0827 -0.4580 C.3 1 UNL11111 -0.0126 11 C -2.2761 -0.3179 -0.0109 C.3 1 UNL11111 -0.3185 12 C -3.7661 -0.5571 -0.3163 C.3 1 UNL11111 -0.0609 13 C -4.0656 -2.0615 -0.2678 C.3 1 UNL11111 -0.4608 14 C -4.6605 0.1804 0.6871 C.3 1 UNL11111 -0.4595 15 H 0.2904 -1.9644 -1.1002 H 1 UNL11111 0.3184 16 H 3.4334 -0.5562 -1.1717 H 1 UNL11111 0.3173 17 H 1.2705 1.8069 1.9599 H 1 UNL11111 0.3201 18 H -1.6662 1.1289 -1.5496 H 1 UNL11111 0.1303 19 H -2.5949 1.8563 -0.1944 H 1 UNL11111 0.1298 20 H -2.0783 -0.4455 1.0730 H 1 UNL11111 0.1657 21 H -1.6637 -1.0895 -0.5103 H 1 UNL11111 0.1408 22 H -3.9927 -0.1830 -1.3437 H 1 UNL11111 0.1258 23 H -5.1264 -2.2615 -0.4534 H 1 UNL11111 0.1433 24 H -3.4925 -2.6107 -1.0217 H 1 UNL11111 0.1418 25 H -3.8198 -2.4872 0.7114 H 1 UNL11111 0.1481 26 H -4.4855 -0.1683 1.7110 H 1 UNL11111 0.1474 27 H -4.4792 1.2603 0.6752 H 1 UNL11111 0.1439 28 H -5.7213 0.0230 0.4649 H 1 UNL11111 0.1417 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 1 5 1 5 2 15 1 6 3 16 1 7 5 6 1 8 6 7 1 9 6 8 2 10 6 9 1 11 7 17 1 12 9 10 1 13 10 11 1 14 10 18 1 15 10 19 1 16 11 12 1 17 11 20 1 18 11 21 1 19 12 13 1 20 12 14 1 21 12 22 1 22 13 23 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1