@MOLECULE DB02430 50 51 1 SMALL USER_CHARGES @ATOM 1 P1 8.8798 -1.2238 3.6587 P 1 noname 0.0149 2 O1 9.8956 -0.2220 3.4634 O.2 1 noname -0.1967 3 O2 7.4904 -0.5606 3.6186 O.3 1 noname -0.1525 4 O3 9.0850 -1.9034 5.0252 O.3 1 noname -0.1645 5 O4 8.9774 -2.2786 2.5409 O.3 1 noname -0.1645 6 C1 6.4887 -1.5485 3.8112 C.3 1 noname 0.0915 7 C2 5.1025 -0.8868 3.7713 C.3 1 noname 0.1137 8 O5 5.0128 0.1171 4.8370 O.3 1 noname -0.3411 9 C3 4.7106 -0.3576 2.3660 C.3 1 noname 0.1112 10 C4 3.7992 0.9270 4.8539 C.3 1 noname 0.1895 11 O6 3.4503 -0.9214 2.0034 O.3 1 noname -0.3874 12 C5 4.6151 1.2018 2.3701 C.3 1 noname 0.1134 13 O7 2.5553 0.1556 4.9860 O.3 1 noname -0.3180 14 C6 3.8013 1.8161 3.5668 C.3 1 noname 0.1335 15 O8 5.9534 1.6668 2.5198 O.3 1 noname -0.3873 16 C7 2.3703 -0.5928 6.2186 C.3 1 noname 0.1895 17 O9 2.4752 2.1513 3.1604 O.3 1 noname -0.3849 18 O10 0.9486 -0.9978 6.3787 O.3 1 noname -0.3412 19 C8 3.3711 -1.8182 6.3250 C.3 1 noname 0.1335 20 C9 0.5230 -2.3439 6.7875 C.3 1 noname 0.1124 21 O11 4.5883 -1.4936 5.6696 O.3 1 noname -0.3849 22 C10 2.7518 -3.0932 5.6707 C.3 1 noname 0.1134 23 C11 1.4751 -3.5351 6.4202 C.3 1 noname 0.1112 24 C12 0.2474 -2.3566 8.2924 C.3 1 noname 0.0722 25 O12 3.7032 -4.1471 5.6943 O.3 1 noname -0.3873 26 O13 0.7674 -4.4813 5.6326 O.3 1 noname -0.3874 27 O14 -0.7799 -1.4237 8.5934 O.3 1 noname -0.3934 28 H1 9.0683 -2.8568 4.9142 H 1 noname 0.2283 29 H2 8.9438 -3.1573 2.9263 H 1 noname 0.2283 30 H3 6.5709 -2.2152 2.9528 H 1 noname 0.0605 31 H4 6.6516 -1.9335 4.8178 H 1 noname 0.0605 32 H5 4.3389 -1.6223 4.0243 H 1 noname 0.0657 33 H6 5.4122 -0.6970 1.6040 H 1 noname 0.0657 34 H7 3.8219 1.4811 5.7923 H 1 noname 0.0952 35 H8 2.9579 -1.1416 2.7976 H 1 noname 0.2106 36 H9 4.1803 1.5384 1.4289 H 1 noname 0.0658 37 H10 4.2276 2.7845 3.8287 H 1 noname 0.0682 38 H11 6.1641 1.7400 3.4536 H 1 noname 0.2106 39 H12 2.5638 0.1305 7.0108 H 1 noname 0.0952 40 H13 1.9279 2.2896 3.9368 H 1 noname 0.2108 41 H14 3.6643 -2.0184 7.3555 H 1 noname 0.0682 42 H15 -0.3809 -2.4606 6.1897 H 1 noname 0.0657 43 H16 5.2661 -1.3128 6.3249 H 1 noname 0.2108 44 H17 2.5343 -2.9300 4.6152 H 1 noname 0.0658 45 H18 1.7714 -4.0663 7.3248 H 1 noname 0.0657 46 H19 -0.1611 -3.3331 8.5526 H 1 noname 0.0591 47 H20 1.1365 -1.9845 8.8017 H 1 noname 0.0591 48 H21 3.9076 -4.3734 6.6046 H 1 noname 0.2106 49 H22 0.3072 -5.0965 6.2083 H 1 noname 0.2106 50 H23 -0.8694 -1.3424 9.5458 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 12 15 1 15 12 14 1 16 16 13 1 17 14 17 1 18 16 18 1 19 16 19 1 20 18 20 1 21 19 21 1 22 19 22 1 23 20 23 1 24 20 24 1 25 22 25 1 26 22 23 1 27 23 26 1 28 24 27 1 29 4 28 1 30 5 29 1 31 6 30 1 32 6 31 1 33 7 32 1 34 9 33 1 35 10 34 1 36 11 35 1 37 12 36 1 38 14 37 1 39 15 38 1 40 16 39 1 41 17 40 1 42 19 41 1 43 20 42 1 44 21 43 1 45 22 44 1 46 23 45 1 47 24 46 1 48 24 47 1 49 25 48 1 50 26 49 1 51 27 50 1 @SUBSTRUCTURE 1 noname 1