@MOLECULE DB02470 33 33 1 SMALL USER_CHARGES @ATOM 1 P1 -1.8611 -2.7618 0.8656 P 1 noname 0.0149 2 O1 -2.2929 -4.0870 0.5035 O.2 1 noname -0.1967 3 O2 -1.5689 -1.9506 -0.4104 O.3 1 noname -0.1525 4 O3 -2.9698 -2.0638 1.6750 O.3 1 noname -0.1645 5 O4 -0.5827 -2.8539 1.7193 O.3 1 noname -0.1645 6 C1 -1.1430 -0.6439 -0.0534 C.3 1 noname 0.0911 7 C2 -0.8528 0.1621 -1.3211 C.3 1 noname 0.1073 8 O5 -2.0315 0.2470 -2.1083 O.3 1 noname -0.3877 9 C3 -0.3915 1.5775 -0.9344 C.3 1 noname 0.1175 10 O6 0.8173 1.4770 -0.1278 O.3 1 noname -0.3411 11 C4 -0.3060 2.4135 -2.2462 C.3 1 noname 0.1116 12 C5 1.7713 2.5834 -0.1440 C.3 1 noname 0.1838 13 O7 -0.9013 3.6855 -2.0365 O.3 1 noname -0.3874 14 C6 1.1648 2.6000 -2.7050 C.3 1 noname 0.1134 15 O8 1.2155 3.6976 0.5386 O.3 1 noname -0.3656 16 C7 2.1647 3.0051 -1.5942 C.3 1 noname 0.1331 17 O9 1.6170 1.4126 -3.3390 O.3 1 noname -0.3873 18 O10 3.4511 2.4898 -1.9045 O.3 1 noname -0.3849 19 H1 -2.7976 -2.1723 2.6132 H 1 noname 0.2283 20 H2 -0.8175 -2.8370 2.6500 H 1 noname 0.2283 21 H3 -1.9957 -0.1873 0.4492 H 1 noname 0.0605 22 H4 -0.2037 -0.7804 0.4824 H 1 noname 0.0605 23 H5 -0.1204 -0.3424 -1.9513 H 1 noname 0.0653 24 H6 -2.7976 0.3022 -1.5324 H 1 noname 0.2106 25 H7 -1.0414 2.1079 -0.2384 H 1 noname 0.0661 26 H8 -0.8945 1.9498 -3.0379 H 1 noname 0.0657 27 H9 2.6327 2.2519 0.4358 H 1 noname 0.0949 28 H10 -0.9788 3.8511 -1.0940 H 1 noname 0.2106 29 H11 1.1799 3.3840 -3.4622 H 1 noname 0.0658 30 H12 1.2845 3.5594 1.4860 H 1 noname 0.2134 31 H13 2.2514 4.0913 -1.6179 H 1 noname 0.0682 32 H14 1.8628 0.7674 -2.6720 H 1 noname 0.2106 33 H15 3.9245 2.3002 -1.0911 H 1 noname 0.2108 @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 7 9 1 9 9 10 1 10 9 11 1 11 10 12 1 12 11 13 1 13 11 14 1 14 12 15 1 15 12 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 4 19 1 20 5 20 1 21 6 21 1 22 6 22 1 23 7 23 1 24 8 24 1 25 9 25 1 26 11 26 1 27 12 27 1 28 13 28 1 29 14 29 1 30 15 30 1 31 16 31 1 32 17 32 1 33 18 33 1 @SUBSTRUCTURE 1 noname 1