@MOLECULE 91864425 47 46 1 SMALL USER_CHARGES @ATOM 1 P1 3.2479 -1.7665 -0.6555 P 1 noname 0.0256 2 O1 4.1147 -2.8774 -0.1690 O.2 1 noname -0.2952 3 C1 4.2825 -0.5327 -1.3527 C.3 1 noname 0.0130 4 C2 2.1738 -2.4673 -1.8393 C.3 1 noname 0.0130 5 C3 2.3607 -1.2137 0.7311 C.3 1 noname 0.0074 6 C4 1.3845 -0.0770 0.3515 C.3 1 noname -0.0446 7 C5 0.5761 0.5231 1.4995 C.3 1 noname -0.0527 8 C6 5.2952 -0.0326 -0.2914 C.3 1 noname -0.0540 9 C7 2.9457 -3.0197 -3.0727 C.3 1 noname -0.0540 10 C8 1.2340 -3.5399 -1.2116 C.3 1 noname -0.0540 11 C9 3.5995 0.6722 -2.1088 C.3 1 noname -0.0540 12 C10 -0.2973 1.6840 0.9876 C.3 1 noname -0.0533 13 C11 -1.0055 2.4141 2.1236 C.3 1 noname -0.0533 14 C12 -1.8343 3.5368 1.5237 C.3 1 noname -0.0535 15 C13 -2.5830 4.0958 2.7205 C.3 1 noname -0.0561 16 C14 -3.4552 5.2382 2.2203 C.3 1 noname -0.0654 17 H1 1.8350 -2.0267 1.2336 H 1 noname 0.0370 18 H2 3.0353 -0.8321 1.4840 H 1 noname 0.0370 19 H3 1.5242 -1.6863 -2.2238 H 1 noname 0.0401 20 H4 4.9137 -1.0299 -2.0959 H 1 noname 0.0401 21 H5 0.7013 -0.3274 -0.4686 H 1 noname 0.0273 22 H6 2.0023 0.7561 0.0341 H 1 noname 0.0273 23 H7 -0.0564 -0.2237 1.9680 H 1 noname 0.0267 24 H8 1.2793 0.9193 2.2184 H 1 noname 0.0267 25 H9 0.5379 -3.9204 -1.9594 H 1 noname 0.0240 26 H10 0.6237 -3.1291 -0.4050 H 1 noname 0.0240 27 H11 1.8158 -4.3719 -0.8167 H 1 noname 0.0240 28 H12 2.2458 -3.4018 -3.8183 H 1 noname 0.0240 29 H13 3.6154 -3.8263 -2.7756 H 1 noname 0.0240 30 H14 3.5337 -2.2443 -3.5695 H 1 noname 0.0240 31 H15 5.9634 0.7054 -0.7217 H 1 noname 0.0240 32 H16 4.7870 0.4301 0.5512 H 1 noname 0.0240 33 H17 5.9126 -0.8470 0.0910 H 1 noname 0.0240 34 H18 4.2644 1.1601 -2.8105 H 1 noname 0.0240 35 H19 2.7452 0.3626 -2.6889 H 1 noname 0.0240 36 H20 3.2524 1.4605 -1.4412 H 1 noname 0.0240 37 H21 -1.0372 1.2998 0.2855 H 1 noname 0.0266 38 H22 0.3195 2.4200 0.4719 H 1 noname 0.0266 39 H23 -1.6609 1.7196 2.6491 H 1 noname 0.0266 40 H24 -0.2960 2.8179 2.8458 H 1 noname 0.0266 41 H25 -2.5469 3.1216 0.8110 H 1 noname 0.0266 42 H26 -1.2332 4.2894 1.0135 H 1 noname 0.0266 43 H27 -3.2142 3.3178 3.1499 H 1 noname 0.0264 44 H28 -1.8787 4.4844 3.4562 H 1 noname 0.0264 45 H29 -4.0095 5.6651 3.0562 H 1 noname 0.0230 46 H30 -4.1554 4.8612 1.4748 H 1 noname 0.0230 47 H31 -2.8255 6.0066 1.7717 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 8 1 6 3 11 1 7 3 20 1 8 4 9 1 9 4 10 1 10 4 19 1 11 5 6 1 12 5 17 1 13 5 18 1 14 6 7 1 15 6 21 1 16 6 22 1 17 7 12 1 18 7 23 1 19 7 24 1 20 8 31 1 21 8 32 1 22 8 33 1 23 9 28 1 24 9 29 1 25 9 30 1 26 10 25 1 27 10 26 1 28 10 27 1 29 11 34 1 30 11 35 1 31 11 36 1 32 12 13 1 33 12 37 1 34 12 38 1 35 13 14 1 36 13 39 1 37 13 40 1 38 14 15 1 39 14 41 1 40 14 42 1 41 15 16 1 42 15 43 1 43 15 44 1 44 16 45 1 45 16 46 1 46 16 47 1 @SUBSTRUCTURE 1 noname 1