@MOLECULE DB04542 42 43 1 SMALL USER_CHARGES @ATOM 1 P1 -4.6163 -4.1861 -0.8249 P 1 noname 0.0668 2 O1 -4.6322 -5.5561 -1.2680 O.2 1 noname -0.1856 3 O2 -5.4643 -4.0501 0.4534 O.3 1 noname -0.0280 4 O3 -5.2009 -3.2833 -1.9272 O.3 1 noname -0.1456 5 O4 -3.1668 -3.7597 -0.5272 O.3 1 noname -0.1576 6 P2 -4.8797 -4.9529 1.5556 P 1 noname 0.0623 7 C1 -5.1852 -1.9323 -1.4903 C.3 1 noname 0.0900 8 O5 -5.6725 -4.8257 2.7509 O.2 1 noname -0.1871 9 O6 -3.4302 -4.5264 1.8533 O.3 1 noname -0.1585 10 O7 -4.8967 -6.4181 1.0818 O.3 1 noname -0.1585 11 C2 -5.7660 -1.0354 -2.5853 C.3 1 noname 0.1027 12 O8 -7.1113 -1.4312 -2.8616 O.3 1 noname -0.3552 13 C3 -5.7621 0.4218 -2.1080 C.3 1 noname 0.1228 14 C4 -7.6181 -0.2530 -3.4953 C.3 1 noname 0.1242 15 N1 -4.7339 1.1011 -2.7180 N.2 1 noname -0.0865 16 C5 -7.0939 0.9274 -2.6457 C.3 1 noname 0.0092 17 N2 -9.0316 -0.3979 -3.7364 N.3 1 noname 0.0573 18 N3 -3.9000 1.5908 -2.0756 N.1 1 noname 0.0071 19 C6 -9.3847 -0.9484 -4.9493 C.2 1 noname 0.1090 20 C7 -10.0027 -0.0485 -2.8038 C.2 1 noname -0.0393 21 N4 -3.0661 2.0805 -1.4332 N.2 1 noname -0.1014 22 O9 -8.5160 -1.2792 -5.7850 O.2 1 noname -0.2475 23 N5 -10.7191 -1.1215 -5.2099 N.2 1 noname -0.1274 24 C8 -11.3932 -0.2007 -3.0445 C.2 1 noname 0.0283 25 C9 -11.7000 -0.7654 -4.3115 C.2 1 noname 0.0445 26 C10 -12.4158 0.1880 -2.0776 C.3 1 noname -0.0346 27 O10 -12.9937 -0.9589 -4.6451 O.3 1 noname -0.2561 28 H1 -3.0335 -3.7204 0.4226 H 1 noname 0.2283 29 H2 -5.8570 -1.8962 -0.6326 H 1 noname 0.0604 30 H3 -4.1323 -1.6782 -1.3688 H 1 noname 0.0604 31 H4 -3.2968 -4.4872 2.8032 H 1 noname 0.2283 32 H5 -4.9035 -7.0010 1.8445 H 1 noname 0.2283 33 H6 -5.2177 -1.1541 -3.5198 H 1 noname 0.0641 34 H7 -5.5620 0.5990 -1.0513 H 1 noname 0.0513 35 H8 -7.2994 -0.1343 -4.5309 H 1 noname 0.0787 36 H9 -7.7655 1.0616 -1.7977 H 1 noname 0.0321 37 H10 -6.8868 1.7629 -3.3144 H 1 noname 0.0321 38 H11 -9.6623 0.3584 -1.8516 H 1 noname 0.0762 39 H12 -12.0340 0.0429 -1.0670 H 1 noname 0.0281 40 H13 -12.6721 1.2375 -2.2219 H 1 noname 0.0281 41 H14 -13.3045 -0.4263 -2.2219 H 1 noname 0.0281 42 H15 -13.5216 -1.0378 -3.8472 H 1 noname 0.2199 @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 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 15 18 2 19 17 19 1 20 17 20 1 21 18 21 2 22 19 22 2 23 19 23 1 24 20 24 2 25 23 25 2 26 24 26 1 27 24 25 1 28 25 27 1 29 5 28 1 30 7 29 1 31 7 30 1 32 9 31 1 33 10 32 1 34 11 33 1 35 13 34 1 36 14 35 1 37 16 36 1 38 16 37 1 39 20 38 1 40 26 39 1 41 26 40 1 42 26 41 1 43 27 42 1 @SUBSTRUCTURE 1 noname 1