@MOLECULE DB03078 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 -1.5057 -1.1274 -0.7567 P 1 noname 0.0354 2 O1 -2.9237 -1.3490 -0.6391 O.2 1 noname -0.1918 3 O2 -0.8400 -1.3215 0.6184 O.3 1 noname -0.1089 4 O3 -1.2499 0.3079 -1.2527 O.3 1 noname -0.1481 5 O4 -0.9108 -2.1314 -1.7614 O.3 1 noname -0.1613 6 C1 0.4893 -1.1137 0.5082 C.2 1 noname 0.0439 7 C2 -1.8637 0.4870 -2.5206 C.3 1 noname 0.0876 8 C3 1.3360 -2.1744 0.2079 C.2 1 noname 0.0249 9 C4 1.0114 0.1609 0.6949 C.2 1 noname -0.0016 10 C5 -1.6212 1.8477 -2.9910 C.2 1 noname -0.0432 11 C6 2.7048 -1.9605 0.0944 C.2 1 noname -0.0105 12 C7 0.8253 -3.4216 0.0253 C.2 1 noname 0.1025 13 C8 2.3801 0.3749 0.5814 C.2 1 noname -0.0316 14 C9 -0.9418 2.0596 -4.1849 C.2 1 noname -0.0496 15 C10 -2.0697 2.9313 -2.2447 C.2 1 noname -0.0496 16 C11 3.2268 -0.6858 0.2812 C.2 1 noname -0.0480 17 O5 1.5684 -4.3525 -0.2382 O.2 1 noname -0.3003 18 C12 -0.7109 3.3551 -4.6327 C.2 1 noname -0.0585 19 C13 -1.8388 4.2267 -2.6925 C.2 1 noname -0.0585 20 C14 -1.1594 4.4387 -3.8865 C.2 1 noname -0.0611 21 H1 -0.4861 -2.8481 -1.2842 H 1 noname 0.2283 22 H2 -1.3518 -0.1882 -3.2064 H 1 noname 0.0628 23 H3 -2.9369 0.3876 -2.3577 H 1 noname 0.0628 24 H4 0.3474 0.9927 0.9303 H 1 noname 0.0650 25 H5 3.3687 -2.7922 -0.1410 H 1 noname 0.0631 26 H6 -0.2296 -3.6875 0.0932 H 1 noname 0.1099 27 H7 2.7895 1.3744 0.7278 H 1 noname 0.0623 28 H8 -0.5901 1.2099 -4.7701 H 1 noname 0.0626 29 H9 -2.6025 2.7651 -1.3085 H 1 noname 0.0626 30 H10 4.3001 -0.5181 0.1922 H 1 noname 0.0622 31 H11 -0.1781 3.5213 -5.5690 H 1 noname 0.0622 32 H12 -2.1905 5.0764 -2.1073 H 1 noname 0.0622 33 H13 -0.9783 5.4546 -4.2376 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 2 13 10 14 2 14 10 15 1 15 11 16 2 16 12 17 2 17 13 16 1 18 14 18 1 19 15 19 2 20 18 20 2 21 19 20 1 22 5 21 1 23 7 22 1 24 7 23 1 25 9 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 16 30 1 32 18 31 1 33 19 32 1 34 20 33 1 @SUBSTRUCTURE 1 noname 1