@MOLECULE DB06830 34 33 1 SMALL USER_CHARGES @ATOM 1 P1 2.0816 -2.7650 -1.1009 P 1 noname 0.0363 2 O1 0.8814 -3.3457 -1.6452 O.2 1 noname -0.2176 3 O2 2.5963 -3.6407 0.0566 O.3 1 noname -0.1846 4 O3 3.1568 -2.6837 -2.2005 O.3 1 noname -0.1846 5 C1 1.7532 -1.2486 -0.5395 C.3 1 noname 0.2772 6 P2 3.1283 -0.5833 0.0841 P 1 noname 0.0363 7 O4 0.7618 -1.3236 0.4743 O.3 1 noname -0.3644 8 C2 1.2418 -0.3786 -1.6895 C.3 1 noname 0.0036 9 O5 3.2258 -0.9063 1.4840 O.2 1 noname -0.2176 10 O6 4.3538 -1.1464 -0.6593 O.3 1 noname -0.1846 11 O7 3.0820 0.9464 -0.0877 O.3 1 noname -0.1846 12 C3 0.9374 1.0275 -1.1690 C.3 1 noname -0.0488 13 C4 0.4260 1.8975 -2.3190 C.3 1 noname -0.0531 14 C5 0.1215 3.3036 -1.7984 C.3 1 noname -0.0535 15 C6 -0.3899 4.1736 -2.9484 C.3 1 noname -0.0561 16 C7 -0.6943 5.5797 -2.4278 C.3 1 noname -0.0654 17 H1 2.4941 -4.5672 -0.1731 H 1 noname 0.2260 18 H2 3.4136 -3.5706 -2.4631 H 1 noname 0.2260 19 H3 0.5718 -2.2443 0.6686 H 1 noname 0.2129 20 H4 2.0634 -0.2804 -2.3992 H 1 noname 0.0314 21 H5 0.2927 -0.8077 -2.0107 H 1 noname 0.0314 22 H6 5.0055 -1.4459 -0.0210 H 1 noname 0.2260 23 H7 3.0694 1.3652 0.7760 H 1 noname 0.2260 24 H8 0.1158 0.9293 -0.4594 H 1 noname 0.0268 25 H9 1.8865 1.4565 -0.8479 H 1 noname 0.0268 26 H10 1.2475 1.9957 -3.0286 H 1 noname 0.0266 27 H11 -0.5232 1.4684 -2.6401 H 1 noname 0.0266 28 H12 -0.7000 3.2054 -1.0888 H 1 noname 0.0266 29 H13 1.0707 3.7326 -1.4773 H 1 noname 0.0266 30 H14 0.4317 4.2718 -3.6580 H 1 noname 0.0264 31 H15 -1.3390 3.7445 -3.2695 H 1 noname 0.0264 32 H16 -0.6926 5.5718 -1.3379 H 1 noname 0.0230 33 H17 0.0662 6.2728 -2.7874 H 1 noname 0.0230 34 H18 -1.6735 5.8961 -2.7874 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 3 17 1 17 4 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 10 22 1 22 11 23 1 23 12 24 1 24 12 25 1 25 13 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 16 32 1 32 16 33 1 33 16 34 1 @SUBSTRUCTURE 1 noname 1