@MOLECULE DB02808 52 51 1 SMALL USER_CHARGES @ATOM 1 P1 2.6617 -7.5484 1.3040 P 1 noname 0.0672 2 O1 2.7381 -8.9601 1.5778 O.2 1 noname -0.1855 3 O2 3.3592 -7.2468 -0.0354 O.3 1 noname -0.0279 4 O3 3.3597 -6.7680 2.4334 O.3 1 noname -0.1446 5 O4 1.1846 -7.1207 1.2214 O.3 1 noname -0.1575 6 P2 2.6612 -8.0272 -1.1648 P 1 noname 0.0623 7 C1 3.2844 -5.3760 2.1635 C.3 1 noname 0.0812 8 O5 3.3134 -7.7451 -2.4173 O.2 1 noname -0.1871 9 O6 1.1841 -7.5994 -1.2475 O.3 1 noname -0.1585 10 O7 2.7429 -9.5369 -0.8721 O.3 1 noname -0.1585 11 C2 3.9325 -4.6513 3.2122 C.2 1 noname -0.0206 12 C3 3.2467 -3.7687 3.9329 C.2 1 noname 0.0024 13 C4 1.8612 -3.5443 3.6591 C.3 1 noname 0.4122 14 C5 3.8948 -3.0441 4.9816 C.3 1 noname -0.0196 15 F1 1.1019 -4.4036 4.4106 F 1 noname -0.1665 16 F2 1.6170 -3.7635 2.3280 F 1 noname -0.1665 17 F3 1.5363 -2.2507 3.9764 F 1 noname -0.1665 18 C6 2.8896 -2.1022 5.6475 C.3 1 noname -0.0307 19 C7 3.5377 -1.3776 6.6962 C.2 1 noname -0.0823 20 C8 2.8518 -0.4950 7.4169 C.2 1 noname -0.0798 21 C9 3.4999 0.2297 8.4656 C.3 1 noname -0.0288 22 C10 1.4663 -0.2706 7.1432 C.3 1 noname -0.0439 23 C11 3.3778 -0.5509 9.7759 C.3 1 noname -0.0311 24 C12 4.0259 0.1737 10.8246 C.2 1 noname -0.0837 25 C13 4.0453 -0.3189 12.0598 C.2 1 noname -0.0821 26 C14 4.6934 0.4057 13.1085 C.3 1 noname -0.0442 27 C15 3.4179 -1.5732 12.3393 C.3 1 noname -0.0442 28 H1 0.8310 -7.0183 2.1080 H 1 noname 0.2283 29 H2 3.8611 -5.2022 1.2550 H 1 noname 0.0622 30 H3 2.2285 -5.1076 2.1985 H 1 noname 0.0622 31 H4 0.8306 -7.4971 -0.3608 H 1 noname 0.2283 32 H5 2.7506 -9.6788 0.0774 H 1 noname 0.2283 33 H6 4.9840 -4.7759 3.4707 H 1 noname 0.0603 34 H7 4.1903 -3.7931 5.7162 H 1 noname 0.0319 35 H8 4.6526 -2.4333 4.4909 H 1 noname 0.0319 36 H9 2.5941 -1.3532 4.9129 H 1 noname 0.0313 37 H10 2.1317 -2.7130 6.1382 H 1 noname 0.0313 38 H11 4.5892 -1.5022 6.9547 H 1 noname 0.0575 39 H12 4.5544 0.2619 8.1913 H 1 noname 0.0315 40 H13 2.9362 1.1563 8.5733 H 1 noname 0.0315 41 H14 0.9201 -0.1821 8.0823 H 1 noname 0.0276 42 H15 1.3537 0.6492 6.5693 H 1 noname 0.0276 43 H16 1.0691 -1.1078 6.5693 H 1 noname 0.0276 44 H17 2.3234 -0.5832 10.0502 H 1 noname 0.0313 45 H18 3.9416 -1.4776 9.6682 H 1 noname 0.0313 46 H19 4.5216 1.1333 10.6775 H 1 noname 0.0575 47 H20 5.1318 -0.2961 13.8180 H 1 noname 0.0276 48 H21 5.4782 1.0328 12.6856 H 1 noname 0.0276 49 H22 3.9641 1.0328 13.6214 H 1 noname 0.0276 50 H23 3.3484 -1.7123 13.4181 H 1 noname 0.0276 51 H24 2.4177 -1.5836 11.9063 H 1 noname 0.0276 52 H25 4.0096 -2.3798 11.9063 H 1 noname 0.0276 @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 7 11 1 11 11 12 2 12 12 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 13 17 1 17 14 18 1 18 18 19 1 19 19 20 2 20 20 21 1 21 20 22 1 22 21 23 1 23 23 24 1 24 24 25 2 25 25 26 1 26 25 27 1 27 5 28 1 28 7 29 1 29 7 30 1 30 9 31 1 31 10 32 1 32 11 33 1 33 14 34 1 34 14 35 1 35 18 36 1 36 18 37 1 37 19 38 1 38 21 39 1 39 21 40 1 40 22 41 1 41 22 42 1 42 22 43 1 43 23 44 1 44 23 45 1 45 24 46 1 46 26 47 1 47 26 48 1 48 26 49 1 49 27 50 1 50 27 51 1 51 27 52 1 @SUBSTRUCTURE 1 noname 1