@MOLECULE DB04395 48 50 1 SMALL USER_CHARGES @ATOM 1 P1 0.1317 0.4978 3.5074 P 1 noname 0.0607 2 O1 -0.3776 0.6015 4.8785 O.2 1 noname -0.1865 3 O2 1.6982 0.8362 3.4538 O.3 1 noname -0.0417 4 O3 -0.6247 1.6693 2.7335 O.3 1 noname -0.1461 5 O4 -0.3117 -0.8607 2.8148 O.3 1 noname -0.1581 6 P2 2.7445 -0.3023 3.8919 P 1 noname 0.0335 7 C1 -0.2785 1.7422 1.3564 C.3 1 noname 0.0915 8 O5 4.0095 0.0779 3.2183 O.2 1 noname -0.2114 9 O6 2.3257 -1.7149 3.2845 O.3 1 noname -0.1768 10 N1 3.0582 -0.3947 5.5170 N.3 1 noname 0.1647 11 C2 -1.3858 2.6550 0.7934 C.3 1 noname 0.1130 12 P3 1.8854 -0.0871 6.5581 P 1 noname -0.0192 13 O7 -2.7248 2.3301 1.2137 O.3 1 noname -0.3483 14 C3 -1.3781 2.5925 -0.7203 C.3 1 noname 0.1127 15 O8 2.3863 -0.2280 7.9008 O.2 1 noname -0.2223 16 O9 0.7282 -1.0785 6.3352 O.3 1 noname -0.1837 17 O10 1.3767 1.3512 6.3481 O.3 1 noname -0.1837 18 C4 -3.1837 1.3296 0.2992 C.3 1 noname 0.1590 19 O11 -1.3523 3.9247 -1.2144 O.3 1 noname -0.3873 20 C5 -2.6646 1.8349 -1.0650 C.3 1 noname 0.1258 21 N2 -4.5778 1.0291 0.4846 N.3 1 noname 0.0257 22 O12 -2.3568 0.7289 -1.9012 O.3 1 noname -0.3857 23 C6 -5.1187 0.6055 1.6434 C.2 1 noname 0.1238 24 C7 -5.5843 1.0987 -0.4240 C.2 1 noname -0.0362 25 N3 -4.5808 0.3474 2.8770 N.2 1 noname -0.2441 26 C8 -6.4811 0.4547 1.4065 C.2 1 noname 0.0254 27 N4 -6.7594 0.7473 0.1297 N.2 1 noname -0.2172 28 C9 -5.3636 -0.0534 3.9234 C.2 1 noname 0.0503 29 C10 -7.2877 0.0582 2.4863 C.2 1 noname 0.0729 30 N5 -6.7082 -0.1844 3.7030 N.2 1 noname -0.2575 31 N6 -8.6125 -0.0646 2.3223 N.3 1 noname -0.1031 32 H1 -0.5236 -1.5097 3.4897 H 1 noname 0.2283 33 H2 0.6816 2.2542 1.2932 H 1 noname 0.0605 34 H3 -0.3896 0.7394 0.9438 H 1 noname 0.0605 35 H4 2.1435 -2.3293 3.9994 H 1 noname 0.2273 36 H5 3.9701 -0.6400 5.8753 H 1 noname 0.1539 37 H6 -1.2140 3.6517 1.1999 H 1 noname 0.0657 38 H7 -0.4984 2.1507 -1.1883 H 1 noname 0.0657 39 H8 0.3883 -1.3697 7.1845 H 1 noname 0.2273 40 H9 1.2299 1.7664 7.2012 H 1 noname 0.2273 41 H10 -2.8353 0.3208 0.5206 H 1 noname 0.0853 42 H11 -1.3404 4.5393 -0.4770 H 1 noname 0.2106 43 H12 -3.3850 2.4068 -1.6499 H 1 noname 0.0674 44 H13 -2.1446 -0.0337 -1.3581 H 1 noname 0.2107 45 H14 -5.4644 1.3985 -1.4651 H 1 noname 0.1016 46 H15 -4.9299 -0.2617 4.9015 H 1 noname 0.1062 47 H16 -9.1924 0.7600 2.2605 H 1 noname 0.1258 48 H17 -9.0308 -0.9819 2.2605 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 10 12 1 12 11 13 1 13 11 14 1 14 12 15 2 15 12 16 1 16 12 17 1 17 13 18 1 18 14 19 1 19 14 20 1 20 18 21 1 21 18 20 1 22 20 22 1 23 21 23 1 24 21 24 1 25 23 25 2 26 23 26 1 27 24 27 2 28 25 28 1 29 26 29 2 30 26 27 1 31 28 30 2 32 29 31 1 33 29 30 1 34 5 32 1 35 7 33 1 36 7 34 1 37 9 35 1 38 10 36 1 39 11 37 1 40 14 38 1 41 16 39 1 42 17 40 1 43 18 41 1 44 19 42 1 45 20 43 1 46 22 44 1 47 24 45 1 48 28 46 1 49 31 47 1 50 31 48 1 @SUBSTRUCTURE 1 noname 1