@MOLECULE DB06931 40 39 1 SMALL USER_CHARGES @ATOM 1 P1 4.8307 -1.0408 -1.1009 P 1 noname 0.0363 2 O1 4.9782 0.2842 -1.6452 O.2 1 noname -0.2176 3 O2 5.8279 -1.2342 0.0566 O.3 1 noname -0.1846 4 O3 5.1125 -2.0817 -2.2005 O.3 1 noname -0.1846 5 C1 3.2916 -1.2367 -0.5395 C.3 1 noname 0.2772 6 P2 3.1227 -2.7550 0.0841 P 1 noname 0.0363 7 O4 3.0318 -0.2770 0.4743 O.3 1 noname -0.3644 8 C2 2.3009 -1.0446 -1.6895 C.3 1 noname 0.0036 9 O5 3.4598 -2.7392 1.4840 O.2 1 noname -0.2176 10 O6 4.0622 -3.7227 -0.6593 O.3 1 noname -0.1846 11 O7 1.6650 -3.2212 -0.0877 O.3 1 noname -0.1846 12 C3 0.8737 -1.2262 -1.1690 C.3 1 noname -0.0488 13 C4 -0.1169 -1.0341 -2.3190 C.3 1 noname -0.0531 14 C5 -1.5441 -1.2158 -1.7984 C.3 1 noname -0.0533 15 C6 -2.5348 -1.0236 -2.9484 C.3 1 noname -0.0533 16 C7 -3.9620 -1.2053 -2.4278 C.3 1 noname -0.0535 17 C8 -4.9527 -1.0131 -3.5779 C.3 1 noname -0.0561 18 C9 -6.3799 -1.1948 -3.0573 C.3 1 noname -0.0654 19 H1 5.9609 -2.1723 0.2110 H 1 noname 0.2260 20 H2 5.0192 -2.9650 -1.8364 H 1 noname 0.2260 21 H3 2.8215 -0.7278 1.2954 H 1 noname 0.2129 22 H4 2.3890 -0.0067 -2.0107 H 1 noname 0.0314 23 H5 2.4822 -1.8519 -2.3992 H 1 noname 0.0314 24 H6 4.5617 -4.2372 -0.0210 H 1 noname 0.2260 25 H7 1.2660 -3.3489 0.7760 H 1 noname 0.2260 26 H8 0.7856 -2.2641 -0.8479 H 1 noname 0.0268 27 H9 0.6925 -0.4190 -0.4594 H 1 noname 0.0268 28 H10 -0.0288 0.0038 -2.6401 H 1 noname 0.0266 29 H11 0.0643 -1.8414 -3.0286 H 1 noname 0.0266 30 H12 -1.6322 -2.2537 -1.4773 H 1 noname 0.0266 31 H13 -1.7254 -0.4085 -1.0888 H 1 noname 0.0266 32 H14 -2.4467 0.0143 -3.2695 H 1 noname 0.0266 33 H15 -2.3536 -1.8309 -3.6580 H 1 noname 0.0266 34 H16 -4.0501 -2.2432 -2.1067 H 1 noname 0.0266 35 H17 -4.1432 -0.3980 -1.7182 H 1 noname 0.0266 36 H18 -4.8646 0.0248 -3.8990 H 1 noname 0.0264 37 H19 -4.7715 -1.8204 -4.2875 H 1 noname 0.0264 38 H20 -6.3719 -1.1938 -1.9673 H 1 noname 0.0230 39 H21 -7.0046 -0.3771 -3.4168 H 1 noname 0.0230 40 H22 -6.7799 -2.1429 -3.4168 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 10 1 10 6 11 1 11 8 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 3 19 1 19 4 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 12 27 1 27 13 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 17 36 1 36 17 37 1 37 18 38 1 38 18 39 1 39 18 40 1 @SUBSTRUCTURE 1 noname 1