@MOLECULE 118987134 44 43 1 SMALL USER_CHARGES @ATOM 1 P1 2.3263 -2.3892 -0.0655 P 1 noname 0.0210 2 P2 3.7578 2.9702 -3.7114 P 1 noname 0.0210 3 P3 -0.4120 1.8226 -4.5409 P 1 noname 0.0210 4 P4 2.3855 1.1103 2.6071 P 1 noname 0.0210 5 O1 1.8472 -3.7140 0.5566 O.3 1 noname -0.1915 6 O2 1.8903 2.2891 3.4655 O.3 1 noname -0.1915 7 O3 -1.9510 1.8076 -4.4872 O.3 1 noname -0.1915 8 O4 4.2369 4.2950 -4.3335 O.3 1 noname -0.1915 9 O5 0.0832 0.6437 -5.3993 O.3 1 noname -0.1915 10 O6 3.9245 1.1253 2.5534 O.3 1 noname -0.1915 11 O7 4.2530 1.7914 -4.5698 O.3 1 noname -0.1915 12 O8 3.8653 -2.3742 -0.1192 O.3 1 noname -0.1915 13 O9 1.9376 -0.1285 3.1888 O.2 1 noname -0.2266 14 O10 1.7982 -2.2667 -1.3995 O.2 1 noname -0.2266 15 O11 0.0359 3.0613 -5.1226 O.2 1 noname -0.2266 16 O12 4.2859 2.8477 -2.3774 O.2 1 noname -0.2266 17 N1 2.2505 0.1315 0.2636 N.3 1 noname -0.2765 18 N2 1.6541 1.6964 -3.0633 N.3 1 noname -0.2765 19 C1 1.7144 0.2559 -1.0908 C.3 1 noname 0.0127 20 C2 2.1903 1.5721 -1.7089 C.3 1 noname 0.0127 21 C3 1.7957 -1.1262 0.8542 C.3 1 noname 0.1072 22 C4 2.1089 2.9541 -3.6539 C.3 1 noname 0.1072 23 C5 0.1931 1.6822 -3.0123 C.3 1 noname 0.1072 24 C6 1.7804 1.2506 1.0785 C.3 1 noname 0.1072 25 H1 0.6251 0.2452 -1.0528 H 1 noname 0.0444 26 H2 2.0648 -0.5785 -1.6983 H 1 noname 0.0444 27 H3 1.8398 2.4064 -1.1013 H 1 noname 0.0444 28 H4 3.2796 1.5827 -1.7469 H 1 noname 0.0444 29 H5 2.1195 2.1883 0.6382 H 1 noname 0.0585 30 H6 0.6911 1.2400 1.1165 H 1 noname 0.0585 31 H7 2.1955 -1.2189 1.8640 H 1 noname 0.0585 32 H8 0.7064 -1.1368 0.8922 H 1 noname 0.0585 33 H9 -0.1574 2.5166 -2.4047 H 1 noname 0.0585 34 H10 -0.1460 0.7445 -2.5720 H 1 noname 0.0585 35 H11 1.7584 3.7885 -3.0463 H 1 noname 0.0585 36 H12 1.7092 3.0469 -4.6637 H 1 noname 0.0585 37 H13 2.1624 -4.4642 0.0104 H 1 noname 0.2260 38 H14 2.2497 2.2057 4.3734 H 1 noname 0.2260 39 H15 -2.3104 1.8909 -5.3951 H 1 noname 0.2260 40 H16 5.2162 4.3046 -4.3677 H 1 noname 0.2260 41 H17 -0.2762 0.7271 -6.3072 H 1 noname 0.2260 42 H18 4.2839 1.0419 3.4613 H 1 noname 0.2260 43 H19 5.2324 1.8009 -4.6040 H 1 noname 0.2260 44 H20 4.1804 -3.1244 -0.6654 H 1 noname 0.2260 @BOND 1 1 5 1 2 1 12 1 3 1 14 2 4 1 21 1 5 2 8 1 6 2 11 1 7 2 16 2 8 2 22 1 9 3 7 1 10 3 9 1 11 3 15 2 12 3 23 1 13 4 6 1 14 4 10 1 15 4 13 2 16 4 24 1 17 5 37 1 18 6 38 1 19 7 39 1 20 8 40 1 21 9 41 1 22 10 42 1 23 11 43 1 24 12 44 1 25 17 19 1 26 17 21 1 27 17 24 1 28 18 20 1 29 18 22 1 30 18 23 1 31 19 20 1 32 19 25 1 33 19 26 1 34 20 27 1 35 20 28 1 36 21 31 1 37 21 32 1 38 22 35 1 39 22 36 1 40 23 33 1 41 23 34 1 42 24 29 1 43 24 30 1 @SUBSTRUCTURE 1 noname 1