@MOLECULE 76958155 41 43 1 SMALL USER_CHARGES @ATOM 1 P1 7.8508 0.1920 -0.6809 P 1 noname 0.0149 2 O1 5.5671 -3.3518 0.0913 O.3 1 noname -0.3483 3 O2 4.9968 -2.8130 2.8249 O.3 1 noname -0.3857 4 O3 2.4727 -2.1692 0.4147 O.3 1 noname -0.3873 5 O4 6.8587 -1.0419 -0.8694 O.3 1 noname -0.1525 6 O5 9.0079 0.0604 -1.7498 O.3 1 noname -0.1645 7 O6 8.4796 0.1170 0.7801 O.3 1 noname -0.1645 8 O7 6.8727 -8.0585 -2.3582 O.3 1 noname -0.2090 9 O8 7.1225 1.4595 -0.8580 O.2 1 noname -0.1967 10 N1 5.4371 -5.3877 1.4050 N.3 1 noname 0.0326 11 N2 6.2304 -6.8988 2.8967 N.2 1 noname -0.2214 12 N3 6.1356 -6.6429 -0.6014 N.2 1 noname -0.2195 13 N4 7.2142 -8.6892 -0.1033 N.2 1 noname -0.2317 14 N5 7.5789 -9.3900 2.1175 N.3 1 noname -0.1011 15 C1 4.0795 -3.2886 1.8477 C.3 1 noname 0.1258 16 C2 3.7569 -2.0514 1.0161 C.3 1 noname 0.1127 17 C3 4.7363 -4.2539 0.8415 C.3 1 noname 0.1590 18 C4 4.8516 -2.1017 -0.0668 C.3 1 noname 0.1130 19 C5 5.8195 -0.9268 0.1103 C.3 1 noname 0.0914 20 C6 6.0030 -6.3964 0.7336 C.2 1 noname 0.1254 21 C7 5.5929 -5.7545 2.7041 C.2 1 noname -0.0327 22 C8 6.4812 -7.3168 1.6652 C.2 1 noname 0.0034 23 C9 7.1055 -8.4884 1.2414 C.2 1 noname 0.0796 24 C10 6.7298 -7.7981 -1.0264 C.2 1 noname 0.1145 25 C11 5.7270 -8.7826 -2.8246 C.3 1 noname 0.0456 26 H1 3.1765 -3.7053 2.2982 H 1 noname 0.0674 27 H2 3.7900 -1.1294 1.6186 H 1 noname 0.0657 28 H3 3.9730 -4.6652 0.1671 H 1 noname 0.0853 29 H4 4.3879 -2.0413 -1.0590 H 1 noname 0.0657 30 H5 5.2594 0.0114 -0.0153 H 1 noname 0.0605 31 H6 6.2363 -0.9687 1.1260 H 1 noname 0.0605 32 H7 5.1947 -3.5635 3.4248 H 1 noname 0.2107 33 H8 2.2848 -1.3658 -0.1141 H 1 noname 0.2106 34 H9 5.2457 -5.3245 3.5432 H 1 noname 0.1016 35 H10 7.9722 -10.1340 1.6351 H 1 noname 0.1258 36 H11 6.8526 -9.7129 2.6735 H 1 noname 0.1258 37 H12 9.4876 -0.7827 -1.6098 H 1 noname 0.2283 38 H13 8.9705 -0.7251 0.8816 H 1 noname 0.2283 39 H14 5.8380 -8.9922 -3.8885 H 1 noname 0.0536 40 H15 4.8295 -8.1854 -2.6637 H 1 noname 0.0536 41 H16 5.6422 -9.7209 -2.2763 H 1 noname 0.0536 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 1 9 2 5 2 17 1 6 2 18 1 7 15 3 1 8 3 32 1 9 16 4 1 10 4 33 1 11 5 19 1 12 6 37 1 13 7 38 1 14 8 24 1 15 8 25 1 16 17 10 1 17 10 20 1 18 10 21 1 19 11 21 2 20 11 22 1 21 12 20 2 22 12 24 1 23 13 23 1 24 13 24 2 25 14 23 1 26 14 35 1 27 14 36 1 28 15 16 1 29 15 17 1 30 15 26 1 31 16 18 1 32 16 27 1 33 17 28 1 34 18 19 1 35 18 29 1 36 19 30 1 37 19 31 1 38 20 22 1 39 21 34 1 40 22 23 2 41 25 39 1 42 25 40 1 43 25 41 1 @SUBSTRUCTURE 1 noname 1