@MOLECULE DB02657 30 30 1 SMALL USER_CHARGES @ATOM 1 P1 -1.8307 -2.2927 3.3496 P 1 noname 0.0149 2 O1 -1.4625 -3.6011 3.8253 O.2 1 noname -0.1967 3 O2 -0.5679 -1.4220 3.2131 O.3 1 noname -0.1525 4 O3 -2.5173 -2.4200 1.9770 O.3 1 noname -0.1645 5 O4 -2.8007 -1.6370 4.3500 O.3 1 noname -0.1645 6 C1 -0.9309 -0.1318 2.7440 C.3 1 noname 0.0915 7 C2 0.3303 0.7378 2.6077 C.3 1 noname 0.1136 8 O5 1.2390 0.1075 1.6597 O.3 1 noname -0.3425 9 C3 -0.1377 2.1894 2.2897 C.3 1 noname 0.1102 10 C4 2.1634 0.9476 0.9019 C.3 1 noname 0.1727 11 O6 0.5898 3.1077 3.0920 O.3 1 noname -0.3874 12 C5 0.0678 2.5360 0.7910 C.3 1 noname 0.1026 13 O7 3.1652 1.4533 1.7720 O.3 1 noname -0.3664 14 C6 1.4399 2.1361 0.1950 C.3 1 noname 0.0847 15 O8 -0.9715 1.9482 0.0224 O.3 1 noname -0.3884 16 N1 2.3218 3.3021 0.1769 N.3 1 noname -0.3212 17 H1 -2.6265 -3.3484 1.7587 H 1 noname 0.2283 18 H2 -2.5152 -1.8300 5.2460 H 1 noname 0.2283 19 H3 -1.3421 -0.2917 1.7473 H 1 noname 0.0605 20 H4 -1.5548 0.2961 3.5287 H 1 noname 0.0605 21 H5 0.9704 0.7756 3.4891 H 1 noname 0.0657 22 H6 -1.1814 2.3284 2.5716 H 1 noname 0.0656 23 H7 2.6619 0.2884 0.1912 H 1 noname 0.0937 24 H8 0.4362 2.9139 4.0196 H 1 noname 0.2106 25 H9 -0.0352 3.6157 0.6824 H 1 noname 0.0647 26 H10 2.8958 1.3174 2.6833 H 1 noname 0.2133 27 H11 1.2529 1.8336 -0.8353 H 1 noname 0.0544 28 H12 -1.6321 1.5746 0.6102 H 1 noname 0.2106 29 H13 3.3240 3.1771 0.1706 H 1 noname 0.1189 30 H14 1.9288 4.2324 0.1706 H 1 noname 0.1189 @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 14 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1