@MOLECULE DB04300 44 44 1 SMALL USER_CHARGES @ATOM 1 P1 2.1532 2.0677 6.0352 P 1 noname 0.0165 2 O1 1.9119 3.2303 6.8500 O.2 1 noname -0.1963 3 O2 1.3981 2.2105 4.7007 O.3 1 noname -0.1483 4 O3 1.6567 0.8111 6.7741 O.3 1 noname -0.1643 5 O4 3.6628 1.9383 5.7596 O.3 1 noname -0.1643 6 C1 1.6350 1.0686 3.9004 C.3 1 noname 0.1316 7 C2 3.1700 0.9286 3.6145 C.3 1 noname 0.1316 8 C3 0.6860 1.2047 2.6813 C.3 1 noname 0.1138 9 O5 3.7500 0.0470 4.5647 O.3 1 noname -0.1483 10 C4 3.5329 0.4457 2.1605 C.3 1 noname 0.1138 11 O6 -0.4499 1.9733 3.0492 O.3 1 noname -0.3873 12 C5 1.3527 1.8334 1.4101 C.3 1 noname 0.1316 13 P2 3.0798 -1.3354 4.4582 P 1 noname 0.0165 14 O7 4.9233 0.6257 1.9352 O.3 1 noname -0.3873 15 C6 2.7197 1.1578 1.0170 C.3 1 noname 0.1316 16 O8 1.5546 3.2233 1.6199 O.3 1 noname -0.1483 17 O9 3.6680 -2.2295 5.4217 O.2 1 noname -0.1963 18 O10 3.2886 -1.8993 3.0404 O.3 1 noname -0.1643 19 O11 1.5719 -1.1979 4.7390 O.3 1 noname -0.1643 20 O12 2.5074 0.2464 -0.0510 O.3 1 noname -0.1483 21 P3 2.2098 3.8411 0.3706 P 1 noname 0.0165 22 P4 3.8662 -0.2228 -0.6032 P 1 noname 0.0165 23 O13 2.4145 5.2505 0.5834 O.2 1 noname -0.1963 24 O14 1.2899 3.6341 -0.8470 O.3 1 noname -0.1643 25 O15 3.5658 3.1587 0.1115 O.3 1 noname -0.1643 26 O16 3.6509 -1.1471 -1.6863 O.2 1 noname -0.1963 27 O17 4.6594 0.9934 -1.1163 O.3 1 noname -0.1643 28 O18 4.6621 -0.9198 0.5159 O.3 1 noname -0.1643 29 H1 1.7131 0.9538 7.7217 H 1 noname 0.2283 30 H2 4.1378 1.8976 6.5928 H 1 noname 0.2283 31 H3 1.3601 0.1719 4.4558 H 1 noname 0.0671 32 H4 3.6385 1.8976 3.7870 H 1 noname 0.0671 33 H5 0.3086 0.2128 2.4329 H 1 noname 0.0658 34 H6 3.3654 -0.6293 2.0939 H 1 noname 0.0658 35 H7 -0.5117 2.0151 4.0063 H 1 noname 0.2106 36 H8 0.6581 1.7676 0.5726 H 1 noname 0.0671 37 H9 5.3791 0.6847 2.7780 H 1 noname 0.2106 38 H10 3.3591 1.9492 0.6258 H 1 noname 0.0671 39 H11 3.2837 -2.8587 3.0736 H 1 noname 0.2283 40 H12 1.4230 -1.1844 5.6873 H 1 noname 0.2283 41 H13 1.1721 2.6942 -1.0029 H 1 noname 0.2283 42 H14 3.9836 2.9485 0.9498 H 1 noname 0.2283 43 H15 4.9890 1.4987 -0.3695 H 1 noname 0.2283 44 H16 4.5901 -1.8717 0.4146 H 1 noname 0.2283 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 10 14 1 14 10 15 1 15 12 16 1 16 12 15 1 17 13 17 2 18 13 18 1 19 13 19 1 20 15 20 1 21 16 21 1 22 20 22 1 23 21 23 2 24 21 24 1 25 21 25 1 26 22 26 2 27 22 27 1 28 22 28 1 29 4 29 1 30 5 30 1 31 6 31 1 32 7 32 1 33 8 33 1 34 10 34 1 35 11 35 1 36 12 36 1 37 14 37 1 38 15 38 1 39 18 39 1 40 19 40 1 41 24 41 1 42 25 42 1 43 27 43 1 44 28 44 1 @SUBSTRUCTURE 1 noname 1