@MOLECULE DB02493 30 31 1 SMALL USER_CHARGES @ATOM 1 P1 1.3269 4.9824 0.0896 P 1 noname 0.0149 2 O1 0.6502 5.4586 1.2682 O.2 1 noname -0.1967 3 O2 1.1529 3.4563 -0.0209 O.3 1 noname -0.1525 4 O3 0.7256 5.6592 -1.1562 O.3 1 noname -0.1645 5 O4 2.8258 5.3226 0.1856 O.3 1 noname -0.1645 6 C1 1.8201 2.9868 -1.1831 C.3 1 noname 0.0915 7 C2 1.6464 1.4631 -1.2935 C.3 1 noname 0.1141 8 O5 0.2588 1.1205 -1.3842 O.3 1 noname -0.3358 9 C3 2.3808 0.8589 -2.4963 C.3 1 noname 0.1138 10 C4 -0.0205 0.7907 -2.7578 C.3 1 noname 0.2572 11 O6 3.4281 0.0358 -1.9810 O.3 1 noname -0.3873 12 C5 1.2814 0.1459 -3.3199 C.3 1 noname 0.1404 13 N1 -0.4552 1.8937 -3.4939 N.2 1 noname -0.1519 14 C6 -1.2402 0.0231 -2.8510 C.2 1 noname 0.0828 15 O7 1.3350 -1.2703 -3.1450 O.3 1 noname -0.3845 16 C7 -1.6655 1.7627 -3.8966 C.2 1 noname 0.0820 17 O8 -1.4059 -1.1721 -2.3156 O.3 1 noname -0.2441 18 N2 -2.1373 0.6408 -3.5134 N.2 1 noname -0.1285 19 O9 -2.3274 2.6586 -4.6049 O.3 1 noname -0.2265 20 H1 0.4278 4.9869 -1.7733 H 1 noname 0.2283 21 H2 3.0822 5.3808 1.1089 H 1 noname 0.2283 22 H3 1.2998 3.4491 -2.0219 H 1 noname 0.0605 23 H4 2.8764 3.1964 -1.0146 H 1 noname 0.0605 24 H5 2.0195 1.0142 -0.3730 H 1 noname 0.0657 25 H6 2.9478 1.5305 -3.1410 H 1 noname 0.0658 26 H7 3.4060 0.0532 -1.0214 H 1 noname 0.2106 27 H8 1.3848 0.1865 -4.4042 H 1 noname 0.0686 28 H9 1.3428 -1.4769 -2.2076 H 1 noname 0.2108 29 H10 -1.3957 -1.0982 -1.3585 H 1 noname 0.2197 30 H11 -2.7765 3.2663 -4.0129 H 1 noname 0.2215 @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 10 8 1 10 9 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 10 12 1 15 12 15 1 16 13 16 2 17 14 17 1 18 14 18 2 19 16 19 1 20 16 18 1 21 4 20 1 22 5 21 1 23 6 22 1 24 6 23 1 25 7 24 1 26 9 25 1 27 11 26 1 28 12 27 1 29 15 28 1 30 17 29 1 31 19 30 1 @SUBSTRUCTURE 1 noname 1