@MOLECULE DB03171 31 32 1 SMALL USER_CHARGES @ATOM 1 P1 5.7044 -3.9625 1.4711 P 1 noname 0.0142 2 O1 6.3285 -4.3365 2.7138 O.2 1 noname -0.1968 3 O2 4.7068 -2.8165 1.7221 O.3 1 noname -0.1545 4 O3 6.7825 -3.4956 0.4754 O.3 1 noname -0.1646 5 O4 4.9567 -5.1753 0.8867 O.3 1 noname -0.1646 6 C1 4.0914 -2.4477 0.4967 C.3 1 noname 0.0628 7 C2 3.1003 -1.3091 0.7461 C.3 1 noname -0.0245 8 C3 2.4372 -0.9118 -0.5743 C.3 1 noname -0.0238 9 C4 1.4914 0.1747 -0.3363 C.2 1 noname -0.0323 10 C5 0.1397 0.0622 -0.0174 C.2 1 noname -0.0326 11 C6 1.7506 1.5484 -0.3802 C.2 1 noname -0.1063 12 C7 -0.3673 1.3612 0.1509 C.2 1 noname -0.0887 13 C8 -0.6994 -1.0947 0.0204 C.2 1 noname -0.0401 14 N1 0.6289 2.2372 -0.0723 N.3 1 noname -0.0760 15 C9 -1.7577 1.6075 0.3945 C.2 1 noname -0.0441 16 C10 -2.0945 -0.8596 0.2110 C.2 1 noname -0.0541 17 C11 -2.6116 0.4641 0.4005 C.2 1 noname -0.0512 18 H1 7.5436 -3.1661 0.9590 H 1 noname 0.2283 19 H2 4.6210 -5.7197 1.6027 H 1 noname 0.2283 20 H3 4.8969 -2.0631 -0.1290 H 1 noname 0.0577 21 H4 3.5262 -3.3241 0.1798 H 1 noname 0.0577 22 H5 2.3137 -1.7110 1.3847 H 1 noname 0.0293 23 H6 3.6844 -0.4500 1.0760 H 1 noname 0.0293 24 H7 3.2118 -0.4987 -1.2204 H 1 noname 0.0317 25 H8 1.8411 -1.7597 -0.9116 H 1 noname 0.0317 26 H9 2.7026 2.0205 -0.6228 H 1 noname 0.0792 27 H10 -0.2972 -2.1017 -0.0903 H 1 noname 0.0629 28 H11 0.5483 3.2425 -0.0178 H 1 noname 0.1522 29 H12 -2.1454 2.6116 0.5663 H 1 noname 0.0642 30 H13 -2.7788 -1.7080 0.2119 H 1 noname 0.0622 31 H14 -3.6817 0.6048 0.5531 H 1 noname 0.0623 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 2 11 10 12 2 12 10 13 1 13 11 14 1 14 12 15 1 15 12 14 1 16 13 16 2 17 15 17 2 18 16 17 1 19 4 18 1 20 5 19 1 21 6 20 1 22 6 21 1 23 7 22 1 24 7 23 1 25 8 24 1 26 8 25 1 27 11 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 16 30 1 32 17 31 1 @SUBSTRUCTURE 1 noname 1