@MOLECULE DB03565 76 75 1 SMALL USER_CHARGES @ATOM 1 P1 5.6494 -1.2058 -1.1051 P 1 noname 0.0197 2 O1 6.4692 -1.1755 -2.2885 O.2 1 noname -0.1953 3 O2 4.1469 -1.1211 -1.5114 O.3 1 noname -0.1516 4 O3 5.9009 -2.5183 -0.3398 O.3 1 noname -0.1526 5 O4 6.0055 -0.0093 -0.2032 O.3 1 noname -0.1636 6 C1 3.4211 -1.1579 -0.2788 C.3 1 noname 0.0919 7 C2 7.2697 -2.5955 0.0304 C.3 1 noname 0.0747 8 C3 1.9344 -0.7864 -0.5190 C.3 1 noname 0.1187 9 C4 7.5196 -3.8994 0.7908 C.3 1 noname 0.0170 10 O5 1.7225 0.3982 -1.3627 O.3 1 noname -0.1776 11 C5 1.1002 -0.8764 0.7718 C.3 1 noname 0.0762 12 N1 8.9288 -3.9789 1.1719 N.3 1 noname -0.3282 13 P2 1.8531 1.9101 -0.7923 P 1 noname 0.0213 14 O6 -0.2740 -0.6512 0.4611 O.3 1 noname -0.3785 15 O7 1.3607 2.7768 -1.8875 O.2 1 noname -0.2288 16 O8 0.7987 2.1144 0.4010 O.3 1 noname -0.1934 17 C6 3.4609 2.3015 -0.2805 C.3 1 noname 0.0551 18 C7 -0.9702 -0.5062 1.6903 C.3 1 noname 0.0468 19 C8 4.5287 2.1583 -1.3797 C.3 1 noname -0.0402 20 C9 -2.4729 -0.5742 1.3970 C.3 1 noname -0.0296 21 C10 4.1904 3.0915 -2.5440 C.3 1 noname -0.0525 22 C11 -3.2549 -0.4210 2.7031 C.3 1 noname -0.0511 23 C12 5.2518 2.9491 -3.6367 C.3 1 noname -0.0533 24 C13 -4.7551 -0.4889 2.4103 C.3 1 noname -0.0532 25 C14 4.9135 3.8823 -4.8010 C.3 1 noname -0.0535 26 C15 -5.5371 -0.3356 3.7164 C.3 1 noname -0.0533 27 C16 5.9749 3.7399 -5.8938 C.3 1 noname -0.0561 28 C17 -7.0373 -0.4035 3.4236 C.3 1 noname -0.0535 29 C18 5.6366 4.6731 -7.0581 C.3 1 noname -0.0654 30 C19 -7.8193 -0.2503 4.7297 C.3 1 noname -0.0561 31 C20 -9.3194 -0.3182 4.4369 C.3 1 noname -0.0654 32 H1 5.9283 -0.2687 0.7178 H 1 noname 0.2283 33 H2 3.4604 -2.1982 0.0442 H 1 noname 0.0605 34 H3 3.8676 -0.3783 0.3384 H 1 noname 0.0605 35 H4 7.8226 -2.6404 -0.9078 H 1 noname 0.0590 36 H5 7.4317 -1.7665 0.7194 H 1 noname 0.0590 37 H6 1.4941 -1.5091 -1.2058 H 1 noname 0.0662 38 H7 6.9586 -3.8486 1.7240 H 1 noname 0.0449 39 H8 7.3494 -4.7225 0.0967 H 1 noname 0.0449 40 H9 1.1517 -1.9019 1.1376 H 1 noname 0.0594 41 H10 1.3909 -0.0508 1.4214 H 1 noname 0.0594 42 H11 9.3663 -4.8796 1.3036 H 1 noname 0.1185 43 H12 9.4648 -3.1330 1.3036 H 1 noname 0.1185 44 H13 0.5123 1.2574 0.7252 H 1 noname 0.2259 45 H14 3.4875 3.3642 -0.0394 H 1 noname 0.0417 46 H15 3.7648 1.5660 0.4644 H 1 noname 0.0417 47 H16 -0.6982 -1.3754 2.2892 H 1 noname 0.0566 48 H17 -0.7357 0.4966 2.0472 H 1 noname 0.0566 49 H18 5.4682 2.5138 -0.9567 H 1 noname 0.0275 50 H19 4.4540 1.1405 -1.7628 H 1 noname 0.0275 51 H20 -2.7138 0.2936 0.7830 H 1 noname 0.0290 52 H21 -2.6763 -1.5784 1.0250 H 1 noname 0.0290 53 H22 3.2515 2.7366 -2.9691 H 1 noname 0.0267 54 H23 4.2657 4.1099 -2.1630 H 1 noname 0.0267 55 H24 -3.0146 -1.2888 3.3173 H 1 noname 0.0267 56 H25 -3.0521 0.5832 3.0753 H 1 noname 0.0267 57 H26 6.1906 3.3039 -3.2116 H 1 noname 0.0266 58 H27 5.1765 1.9306 -4.0177 H 1 noname 0.0266 59 H28 -4.9954 0.3789 1.7960 H 1 noname 0.0266 60 H29 -4.9579 -1.4931 2.0381 H 1 noname 0.0266 61 H30 3.9746 3.5274 -5.2262 H 1 noname 0.0266 62 H31 4.9888 4.9007 -4.4201 H 1 noname 0.0266 63 H32 -5.2968 -1.2034 4.3306 H 1 noname 0.0266 64 H33 -5.3343 0.6686 4.0886 H 1 noname 0.0266 65 H34 6.9138 4.0947 -5.4686 H 1 noname 0.0264 66 H35 5.8996 2.7214 -6.2747 H 1 noname 0.0264 67 H36 -7.2776 0.4643 2.8093 H 1 noname 0.0266 68 H37 -7.2401 -1.4077 3.0514 H 1 noname 0.0266 69 H38 5.3814 4.0803 -7.9365 H 1 noname 0.0230 70 H39 4.7891 5.3019 -6.7853 H 1 noname 0.0230 71 H40 6.4984 5.3019 -7.2819 H 1 noname 0.0230 72 H41 -7.5790 -1.1181 5.3439 H 1 noname 0.0264 73 H42 -7.6164 0.7539 5.1019 H 1 noname 0.0264 74 H43 -9.8722 -0.3432 5.3760 H 1 noname 0.0230 75 H44 -9.6177 0.5592 3.8630 H 1 noname 0.0230 76 H45 -9.5372 -1.2189 3.8630 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 10 13 1 13 11 14 1 14 13 15 2 15 13 16 1 16 13 17 1 17 14 18 1 18 17 19 1 19 18 20 1 20 19 21 1 21 20 22 1 22 21 23 1 23 22 24 1 24 23 25 1 25 24 26 1 26 25 27 1 27 26 28 1 28 27 29 1 29 28 30 1 30 30 31 1 31 5 32 1 32 6 33 1 33 6 34 1 34 7 35 1 35 7 36 1 36 8 37 1 37 9 38 1 38 9 39 1 39 11 40 1 40 11 41 1 41 12 42 1 42 12 43 1 43 16 44 1 44 17 45 1 45 17 46 1 46 18 47 1 47 18 48 1 48 19 49 1 49 19 50 1 50 20 51 1 51 20 52 1 52 21 53 1 53 21 54 1 54 22 55 1 55 22 56 1 56 23 57 1 57 23 58 1 58 24 59 1 59 24 60 1 60 25 61 1 61 25 62 1 62 26 63 1 63 26 64 1 64 27 65 1 65 27 66 1 66 28 67 1 67 28 68 1 68 29 69 1 69 29 70 1 70 29 71 1 71 30 72 1 72 30 73 1 73 31 74 1 74 31 75 1 75 31 76 1 @SUBSTRUCTURE 1 noname 1