@MOLECULE DB04122 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -2.5550 -1.5575 -1.9999 P 1 noname 0.0149 2 O1 -3.2523 -2.7694 -1.6552 O.2 1 noname -0.1967 3 O2 -1.5747 -1.1904 -0.8703 O.3 1 noname -0.1525 4 O3 -1.7730 -1.7699 -3.3094 O.3 1 noname -0.1645 5 O4 -3.5717 -0.4162 -2.1884 O.3 1 noname -0.1645 6 C1 -0.8871 0.0047 -1.2102 C.3 1 noname 0.0915 7 C2 0.0919 0.3713 -0.0821 C.3 1 noname 0.1136 8 O5 1.0476 -0.7151 0.0863 O.3 1 noname -0.3414 9 C3 0.6666 1.7828 -0.4055 C.3 1 noname 0.1112 10 C4 2.3793 -0.4105 0.6041 C.3 1 noname 0.1838 11 O6 0.6551 2.5793 0.7701 O.3 1 noname -0.3874 12 C5 2.1151 1.6931 -0.9554 C.3 1 noname 0.1134 13 O7 3.1913 -1.5734 0.5355 O.3 1 noname -0.3656 14 C6 3.0675 0.7515 -0.1780 C.3 1 noname 0.1331 15 O8 2.0797 1.3078 -2.3216 O.3 1 noname -0.3873 16 O9 3.8645 1.5160 0.7146 O.3 1 noname -0.3849 17 H1 -1.6745 -2.7105 -3.4744 H 1 noname 0.2283 18 H2 -3.8566 -0.0963 -1.3292 H 1 noname 0.2283 19 H3 -0.3049 -0.2395 -2.0987 H 1 noname 0.0605 20 H4 -1.6551 0.7767 -1.2571 H 1 noname 0.0605 21 H5 -0.3382 0.4037 0.9189 H 1 noname 0.0657 22 H6 0.0243 2.3079 -1.1124 H 1 noname 0.0657 23 H7 2.2492 -0.1747 1.6604 H 1 noname 0.0949 24 H8 0.6475 2.0094 1.5426 H 1 noname 0.2106 25 H9 2.5453 2.6941 -0.9237 H 1 noname 0.0658 26 H10 3.3993 -1.8714 1.4240 H 1 noname 0.2134 27 H11 3.7504 0.3110 -0.9045 H 1 noname 0.0682 28 H12 2.0781 0.3498 -2.3840 H 1 noname 0.2106 29 H13 3.6335 1.2945 1.6196 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 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 12 15 1 15 12 14 1 16 14 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1