@MOLECULE 71587957 40 42 1 SMALL USER_CHARGES @ATOM 1 P1 6.2622 -1.1705 3.4011 P 1 noname 0.0149 2 F1 2.6622 -1.5532 -2.6377 F 1 noname -0.2363 3 O1 2.9165 -2.1021 0.8699 O.3 1 noname -0.3477 4 O2 4.4524 -3.3722 -1.8428 O.3 1 noname -0.3867 5 O3 5.1283 -1.9786 2.6386 O.3 1 noname -0.1525 6 O4 6.0375 -1.4557 4.9432 O.3 1 noname -0.1645 7 O5 6.0633 0.3880 3.1675 O.3 1 noname -0.1645 8 O6 -3.2836 0.1392 1.0432 O.2 1 noname -0.2466 9 O7 7.6101 -1.6014 3.0120 O.2 1 noname -0.1967 10 N1 0.8404 -1.1894 -0.1337 N.3 1 noname 0.0170 11 N2 -0.3664 -2.6168 1.4847 N.3 1 noname 0.0741 12 N3 -0.8342 0.3476 -0.3269 N.2 1 noname -0.2091 13 N4 -2.5457 -1.8115 1.9865 N.2 1 noname -0.1575 14 N5 -1.7842 -3.7890 2.9219 N.3 1 noname -0.1336 15 C1 3.1118 -1.3348 -1.3405 C.3 1 noname 0.1790 16 C2 4.4020 -2.1626 -1.0839 C.3 1 noname 0.1205 17 C3 2.0956 -1.9375 -0.3147 C.3 1 noname 0.1657 18 C4 4.2494 -2.4879 0.4277 C.3 1 noname 0.1136 19 C5 3.4923 0.1542 -1.0154 C.3 1 noname -0.0237 20 C6 5.3083 -1.7467 1.2513 C.3 1 noname 0.0915 21 C7 -0.1669 -1.5423 0.6786 C.2 1 noname 0.0102 22 C8 0.3544 -0.0744 -0.7737 C.2 1 noname -0.0327 23 C9 -1.1741 -0.5908 0.5410 C.2 1 noname 0.0619 24 C10 -2.3820 -0.7220 1.2010 C.2 1 noname 0.1449 25 C11 -1.5596 -2.7418 2.1314 C.2 1 noname -0.0476 26 H1 5.3160 -1.6076 -1.3598 H 1 noname 0.0664 27 H2 1.8007 -2.9608 -0.6207 H 1 noname 0.0859 28 H3 4.3989 -3.5533 0.5999 H 1 noname 0.0657 29 H4 3.7353 0.2342 0.0462 H 1 noname 0.0265 30 H5 2.7228 0.8772 -1.2095 H 1 noname 0.0265 31 H6 4.3509 0.4333 -1.6261 H 1 noname 0.0265 32 H7 5.2422 -0.6775 1.0501 H 1 noname 0.0605 33 H8 6.3113 -2.0487 0.9499 H 1 noname 0.0605 34 H9 5.2839 -3.8501 -1.6411 H 1 noname 0.2107 35 H10 0.7871 0.4287 -1.5377 H 1 noname 0.1016 36 H11 0.3208 -3.2889 1.5831 H 1 noname 0.0676 37 H12 -1.0027 -4.3635 2.9273 H 1 noname 0.1257 38 H13 -2.5486 -4.2860 2.5909 H 1 noname 0.1257 39 H14 5.1451 -1.1476 5.2057 H 1 noname 0.2283 40 H15 5.1862 0.6603 3.5095 H 1 noname 0.2283 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 1 9 2 5 15 2 1 6 3 17 1 7 3 18 1 8 16 4 1 9 4 34 1 10 5 20 1 11 6 39 1 12 7 40 1 13 8 24 2 14 17 10 1 15 10 21 1 16 10 22 1 17 11 21 1 18 11 25 1 19 11 36 1 20 12 22 2 21 12 23 1 22 13 24 1 23 13 25 2 24 14 25 1 25 14 37 1 26 14 38 1 27 15 16 1 28 15 17 1 29 15 19 1 30 16 18 1 31 16 26 1 32 17 27 1 33 18 20 1 34 18 28 1 35 19 29 1 36 19 30 1 37 19 31 1 38 20 32 1 39 20 33 1 40 21 23 2 41 22 35 1 42 23 24 1 @SUBSTRUCTURE 1 noname 1