@MOLECULE inositol-(1,3,5)-triphosphate 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.2453 0.6843 0.0687 P.3 1 UNL1111111111 0.3386 2 P 3.2542 2.3795 0.1952 P.3 1 UNL1111111111 0.3575 3 P 1.5093 -3.4409 0.2275 P.3 1 UNL1111111111 0.3544 4 O -2.7227 1.0471 -0.3614 O.3 1 UNL1111111111 -0.3642 5 O 1.7225 2.2660 -0.3001 O.3 1 UNL1111111111 -0.2697 6 O 0.3807 -2.4603 -0.3630 O.3 1 UNL1111111111 -0.2327 7 O -0.7951 2.8819 0.7141 O.3 1 UNL1111111111 -0.5048 8 O -2.0994 -1.7403 0.4748 O.3 1 UNL1111111111 -0.5500 9 O 0.7798 -0.0054 -1.9199 O.3 1 UNL1111111111 -0.5066 10 O -4.4714 -0.8119 -0.4071 O.3 1 UNL1111111111 -0.3104 11 O -4.9607 1.4517 -1.1293 O.3 1 UNL1111111111 -0.2402 12 O 3.6244 3.7603 -0.4804 O.3 1 UNL1111111111 -0.2269 13 O 3.9906 1.3230 -0.7566 O.3 1 UNL1111111111 -0.4088 14 O 2.6391 -3.2191 -0.8827 O.3 1 UNL1111111111 -0.3826 15 O 0.8502 -4.8414 -0.1211 O.3 1 UNL1111111111 -0.2926 16 O -4.6169 1.0109 1.4333 O.2 1 UNL1111111111 -0.3025 17 O 3.5309 2.2956 1.6177 O.2 1 UNL1111111111 -0.2870 18 O 1.9167 -3.3197 1.6189 O.2 1 UNL1111111111 -0.2928 19 C -1.5812 0.6291 0.3740 C.3 1 UNL1111111111 0.0351 20 C 0.9079 1.2134 0.2127 C.3 1 UNL1111111111 0.0022 21 C 0.2435 -1.1455 0.1900 C.3 1 UNL1111111111 0.0004 22 C -0.5367 1.7231 -0.0263 C.3 1 UNL1111111111 0.0836 23 C -1.2281 -0.8087 -0.1192 C.3 1 UNL1111111111 0.0643 24 C 1.1190 -0.1125 -0.5668 C.3 1 UNL1111111111 0.0767 25 H -1.7089 0.6392 1.4826 H 1 UNL1111111111 0.1416 26 H 1.0555 1.0406 1.3098 H 1 UNL1111111111 0.1426 27 H 0.4346 -1.0942 1.2920 H 1 UNL1111111111 0.1490 28 H -0.6969 2.0782 -1.0726 H 1 UNL1111111111 0.1729 29 H -1.4533 -0.9513 -1.2066 H 1 UNL1111111111 0.1775 30 H 2.1866 -0.4283 -0.6425 H 1 UNL1111111111 0.1855 31 H -0.4738 2.8137 1.6343 H 1 UNL1111111111 0.3106 32 H -1.9225 -1.8672 1.4316 H 1 UNL1111111111 0.3332 33 H -0.1210 0.3561 -2.0494 H 1 UNL1111111111 0.3054 34 H -3.6395 -1.3517 -0.0854 H 1 UNL1111111111 0.3495 35 H -4.8437 2.4618 -0.9210 H 1 UNL1111111111 0.3132 36 H 3.3725 3.6986 -1.4849 H 1 UNL1111111111 0.3139 37 H 4.3858 0.5686 -0.1981 H 1 UNL1111111111 0.3261 38 H 3.4935 -3.6878 -0.5714 H 1 UNL1111111111 0.3200 39 H 0.4993 -4.8103 -1.0906 H 1 UNL1111111111 0.3180 @BOND 1 1 4 1 2 1 10 1 3 1 11 1 4 1 16 2 5 2 5 1 6 2 12 1 7 2 13 1 8 2 17 2 9 3 6 1 10 3 14 1 11 3 15 1 12 3 18 2 13 4 19 1 14 5 20 1 15 6 21 1 16 7 22 1 17 7 31 1 18 8 23 1 19 8 32 1 20 9 24 1 21 9 33 1 22 10 34 1 23 11 35 1 24 12 36 1 25 13 37 1 26 14 38 1 27 15 39 1 28 19 22 1 29 19 23 1 30 19 25 1 31 20 22 1 32 20 24 1 33 20 26 1 34 21 23 1 35 21 24 1 36 21 27 1 37 22 28 1 38 23 29 1 39 24 30 1