@MOLECULE DB02504 54 56 1 SMALL USER_CHARGES @ATOM 1 P1 2.5829 -7.9716 1.3329 P 1 noname 0.0142 2 O1 2.7542 -8.9777 0.3170 O.2 1 noname -0.2307 3 O2 1.6005 -8.4840 2.4025 O.3 1 noname -0.1946 4 O3 3.9428 -7.6674 1.9886 O.3 1 noname -0.1946 5 C1 1.9823 -6.5956 0.6485 C.3 1 noname 0.0571 6 C2 1.8003 -5.5266 1.7279 C.3 1 noname -0.0160 7 C3 1.2433 -4.2507 1.0932 C.3 1 noname 0.0542 8 O4 1.0745 -3.2585 2.0950 O.3 1 noname -0.2742 9 C4 0.5830 -2.1327 1.5350 C.2 1 noname 0.0094 10 C5 -0.8374 -1.9485 1.4472 C.2 1 noname -0.0047 11 C6 1.4896 -1.1364 1.0356 C.2 1 noname -0.0155 12 C7 -1.2999 -0.7332 0.8720 C.2 1 noname -0.0253 13 C8 1.0011 0.0832 0.4556 C.2 1 noname -0.0335 14 C9 -0.4110 0.2583 0.4085 C.2 1 noname -0.0985 15 C10 -2.5897 -0.3050 0.5998 C.2 1 noname -0.0426 16 N1 -1.1389 1.2605 -0.1042 N.3 1 noname -0.0688 17 C11 -2.4464 0.9420 -0.0109 C.2 1 noname -0.0976 18 C12 -3.8351 -1.0094 0.8904 C.3 1 noname 0.0483 19 C13 -0.6223 2.4528 -0.6516 C.3 1 noname -0.0227 20 C14 -3.5482 1.7777 -0.4792 C.3 1 noname 0.0096 21 C15 -4.3078 -0.6339 2.2198 C.2 1 noname 0.0347 22 C16 -0.5000 3.4582 0.4000 C.2 1 noname -0.0488 23 O5 -5.4256 -0.0912 2.3555 O.2 1 noname -0.2970 24 N2 -3.5434 -0.8712 3.2945 N.3 1 noname -0.0895 25 C17 0.7433 4.0023 0.7002 C.2 1 noname -0.0591 26 C18 -1.6270 3.8713 1.1010 C.2 1 noname -0.0591 27 C19 0.8597 4.9594 1.7014 C.2 1 noname -0.0608 28 C20 -1.5106 4.8284 2.1021 C.2 1 noname -0.0608 29 C21 -0.2673 5.3725 2.4023 C.2 1 noname -0.0682 30 H1 1.9537 -8.2998 3.2759 H 1 noname 0.2259 31 H2 3.8493 -7.6883 2.9438 H 1 noname 0.2259 32 H3 2.7374 -6.1981 -0.0297 H 1 noname 0.0418 33 H4 0.9790 -6.8111 0.2810 H 1 noname 0.0418 34 H5 1.0368 -5.8969 2.4120 H 1 noname 0.0298 35 H6 2.7952 -5.2839 2.1013 H 1 noname 0.0298 36 H7 1.9985 -3.8535 0.4150 H 1 noname 0.0572 37 H8 0.2401 -4.4665 0.7257 H 1 noname 0.0572 38 H9 -1.5385 -2.7030 1.8039 H 1 noname 0.0657 39 H10 2.5642 -1.3083 1.0977 H 1 noname 0.0650 40 H11 1.6755 0.8460 0.0665 H 1 noname 0.0643 41 H12 -4.5760 -0.6453 0.1786 H 1 noname 0.0411 42 H13 -3.5939 -2.0716 0.9306 H 1 noname 0.0411 43 H14 0.3849 2.2175 -0.9957 H 1 noname 0.0523 44 H15 -1.3700 2.8111 -1.3592 H 1 noname 0.0523 45 H16 -4.0850 2.1848 0.3776 H 1 noname 0.0293 46 H17 -3.1532 2.5952 -1.0824 H 1 noname 0.0293 47 H18 -4.2289 1.1770 -1.0824 H 1 noname 0.0293 48 H19 -2.5425 -0.9606 3.1925 H 1 noname 0.1271 49 H20 -3.9680 -0.9606 4.2065 H 1 noname 0.1271 50 H21 1.6271 3.6783 0.1505 H 1 noname 0.0626 51 H22 -2.6020 3.4446 0.8655 H 1 noname 0.0626 52 H23 1.8347 5.3861 1.9368 H 1 noname 0.0622 53 H24 -2.3944 5.1524 2.6518 H 1 noname 0.0622 54 H25 -0.1760 6.1231 3.1874 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 10 12 1 12 11 13 2 13 12 14 2 14 12 15 1 15 13 14 1 16 14 16 1 17 15 17 2 18 15 18 1 19 16 19 1 20 16 17 1 21 17 20 1 22 18 21 1 23 19 22 1 24 21 23 2 25 21 24 1 26 22 25 2 27 22 26 1 28 25 27 1 29 26 28 2 30 27 29 2 31 28 29 1 32 3 30 1 33 4 31 1 34 5 32 1 35 5 33 1 36 6 34 1 37 6 35 1 38 7 36 1 39 7 37 1 40 10 38 1 41 11 39 1 42 13 40 1 43 18 41 1 44 18 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 20 47 1 50 24 48 1 51 24 49 1 52 25 50 1 53 26 51 1 54 27 52 1 55 28 53 1 56 29 54 1 @SUBSTRUCTURE 1 noname 1