@MOLECULE DB04731 33 32 1 SMALL USER_CHARGES @ATOM 1 P1 2.2923 -0.5311 0.2129 P 1 noname 0.0211 2 O1 3.0161 -1.7643 0.0435 O.2 1 noname -0.1950 3 O2 1.0641 -0.5249 -0.7160 O.3 1 noname -0.1515 4 O3 1.8297 -0.4042 1.6763 O.3 1 noname -0.1489 5 O4 3.2091 0.6549 -0.1403 O.3 1 noname -0.1634 6 C1 0.3503 0.6912 -0.5490 C.3 1 noname 0.0907 7 C2 2.9623 -0.4099 2.5329 C.3 1 noname 0.1103 8 C3 -0.8699 0.6973 -1.4720 C.3 1 noname 0.1024 9 C4 2.5027 -0.2838 3.9868 C.3 1 noname 0.0117 10 O5 -1.5837 1.9135 -1.3049 O.3 1 noname -0.3881 11 C5 -0.4103 0.5713 -2.9258 C.3 1 noname 0.0847 12 N1 3.6687 -0.2896 4.8688 N.4 1 noname -0.0076 13 O6 -1.5428 0.5769 -3.7825 O.3 1 noname -0.2060 14 C6 -1.3790 0.4758 -5.1187 C.2 1 noname 0.1390 15 O7 -2.3759 0.4808 -5.8727 O.2 1 noname -0.2552 16 C7 -0.0374 0.3607 -5.6830 C.3 1 noname 0.0220 17 H1 3.5265 1.0655 0.6673 H 1 noname 0.2283 18 H2 -0.0056 0.6804 0.4812 H 1 noname 0.0605 19 H3 1.0299 1.4754 -0.8826 H 1 noname 0.0605 20 H4 3.4175 -1.3922 2.4067 H 1 noname 0.0645 21 H5 3.5245 0.4883 2.2775 H 1 noname 0.0645 22 H6 -1.5734 -0.0920 -1.2070 H 1 noname 0.0649 23 H7 2.0436 0.6980 4.1026 H 1 noname 0.0964 24 H8 1.9365 -1.1825 4.2318 H 1 noname 0.0964 25 H9 -1.6906 2.0957 -0.3685 H 1 noname 0.2106 26 H10 0.1520 1.4694 -3.1813 H 1 noname 0.0601 27 H11 0.0449 -0.4110 -3.0521 H 1 noname 0.0601 28 H12 3.3628 -0.2881 5.8313 H 1 noname 0.2555 29 H13 4.2203 -1.1171 4.6921 H 1 noname 0.2555 30 H14 4.2285 0.5322 4.6921 H 1 noname 0.2555 31 H15 0.6922 0.2980 -4.8757 H 1 noname 0.0336 32 H16 0.0224 -0.5377 -6.2973 H 1 noname 0.0336 33 H17 0.1747 1.2357 -6.2973 H 1 noname 0.0336 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 11 13 1 13 13 14 1 14 14 15 2 15 14 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 12 30 1 30 16 31 1 31 16 32 1 32 16 33 1 @SUBSTRUCTURE 1 noname 1