@MOLECULE pentyl trihydrogen diphosphate 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.7126 0.6040 1.3687 C.3 1 UNL11 -0.2537 2 C 5.2288 0.7930 1.3867 C.3 1 UNL11 -0.4426 3 C 3.2737 -0.1915 0.1317 C.3 1 UNL11 -0.2743 4 C 1.7477 -0.3328 0.0979 C.3 1 UNL11 -0.3130 5 C 1.3199 -1.0873 -1.1686 C.3 1 UNL11 -0.0065 6 O -0.0226 -1.5772 -1.0078 O.3 1 UNL11 -0.2760 7 P -1.2930 -0.8265 -1.6318 P.3 1 UNL11 0.3532 8 O -1.1385 0.0699 -2.7589 O.2 1 UNL11 -0.2350 9 O -2.2354 -2.0776 -1.8968 O.3 1 UNL11 -0.2498 10 O -2.0043 -0.2786 -0.3385 O.3 1 UNL11 -0.3381 11 P -2.3477 0.5944 0.9195 P.3 1 UNL11 0.3838 12 O -3.2501 -0.1397 1.7807 O.2 1 UNL11 -0.1985 13 O -0.9378 1.0653 1.4996 O.3 1 UNL11 -0.3857 14 O -2.9383 1.9572 0.3789 O.3 1 UNL11 -0.2589 15 H 3.3856 0.0845 2.2890 H 1 UNL11 0.1334 16 H 3.2099 1.5903 1.3833 H 1 UNL11 0.1379 17 H 5.5495 1.3487 2.2750 H 1 UNL11 0.1422 18 H 5.7541 -0.1683 1.3944 H 1 UNL11 0.1428 19 H 5.5749 1.3506 0.5092 H 1 UNL11 0.1433 20 H 3.6303 0.3147 -0.7851 H 1 UNL11 0.1372 21 H 3.7540 -1.1874 0.1354 H 1 UNL11 0.1344 22 H 1.3917 -0.8748 0.9946 H 1 UNL11 0.1440 23 H 1.2782 0.6710 0.1317 H 1 UNL11 0.1602 24 H 1.5184 -0.4926 -2.0806 H 1 UNL11 0.1319 25 H 1.8582 -2.0587 -1.2626 H 1 UNL11 0.1271 26 H -2.5358 -2.4611 -0.9818 H 1 UNL11 0.3219 27 H -0.3904 0.2362 1.7449 H 1 UNL11 0.3226 28 H -2.2719 2.3531 -0.3047 H 1 UNL11 0.3159 @BOND 1 1 2 1 2 1 3 1 3 1 15 1 4 1 16 1 5 2 17 1 6 2 18 1 7 2 19 1 8 3 4 1 9 3 20 1 10 3 21 1 11 4 5 1 12 4 22 1 13 4 23 1 14 5 6 1 15 5 24 1 16 5 25 1 17 6 7 1 18 7 8 2 19 7 9 1 20 7 10 1 21 9 26 1 22 10 11 1 23 11 12 2 24 11 13 1 25 11 14 1 26 13 27 1 27 14 28 1