@MOLECULE 72941667 58 57 1 SMALL USER_CHARGES @ATOM 1 P1 -8.2305 7.2787 0.3052 P 1 noname 0.0148 2 O1 -2.9212 1.1314 -1.9892 O.3 1 noname -0.3789 3 O2 -4.9115 4.0042 -0.9455 O.3 1 noname -0.3765 4 O3 -7.9680 5.8393 -0.1751 O.3 1 noname -0.1528 5 O4 -9.7465 7.4984 0.4641 O.3 1 noname -0.1645 6 O5 -7.6732 8.2746 -0.7288 O.3 1 noname -0.1645 7 O6 -7.5797 7.4881 1.5725 O.2 1 noname -0.1967 8 C1 2.2714 -3.7978 -3.8832 C.3 1 noname -0.0533 9 C2 3.7775 -4.0160 -4.0411 C.3 1 noname -0.0533 10 C3 2.0105 -2.3677 -3.4060 C.3 1 noname -0.0533 11 C4 4.0383 -5.4461 -4.5183 C.3 1 noname -0.0533 12 C5 0.5044 -2.1495 -3.2481 C.3 1 noname -0.0532 13 C6 5.5444 -5.6643 -4.6763 C.3 1 noname -0.0533 14 C7 0.2436 -0.7194 -2.7709 C.3 1 noname -0.0511 15 C8 5.8053 -7.0944 -5.1534 C.3 1 noname -0.0535 16 C9 -1.2625 -0.5012 -2.6130 C.3 1 noname -0.0296 17 C10 7.3114 -7.3126 -5.3114 C.3 1 noname -0.0561 18 C11 -1.5234 0.9289 -2.1358 C.3 1 noname 0.0468 19 C12 7.5722 -8.7427 -5.7886 C.3 1 noname -0.0654 20 C13 -3.1633 2.4587 -1.5463 C.3 1 noname 0.0701 21 C14 -4.6694 2.6769 -1.3884 C.3 1 noname 0.0702 22 C15 -6.3093 4.2067 -0.7989 C.3 1 noname 0.0712 23 C16 -6.5702 5.6368 -0.3217 C.3 1 noname 0.0859 24 H1 1.7787 -3.9563 -4.8425 H 1 noname 0.0266 25 H2 1.8769 -4.5027 -3.1513 H 1 noname 0.0266 26 H3 4.1720 -3.3111 -4.7730 H 1 noname 0.0266 27 H4 4.2701 -3.8575 -3.0818 H 1 noname 0.0266 28 H5 2.4050 -1.6628 -4.1379 H 1 noname 0.0266 29 H6 2.5032 -2.2092 -2.4467 H 1 noname 0.0266 30 H7 3.5457 -5.6046 -5.4776 H 1 noname 0.0266 31 H8 3.6438 -6.1510 -3.7865 H 1 noname 0.0266 32 H9 0.0118 -2.3080 -4.2074 H 1 noname 0.0266 33 H10 0.1099 -2.8544 -2.5162 H 1 noname 0.0266 34 H11 5.9389 -4.9594 -5.4081 H 1 noname 0.0266 35 H12 6.0371 -5.5058 -3.7169 H 1 noname 0.0266 36 H13 0.6381 -0.0145 -3.5027 H 1 noname 0.0267 37 H14 0.7362 -0.5609 -1.8116 H 1 noname 0.0267 38 H15 5.3126 -7.2529 -6.1128 H 1 noname 0.0266 39 H16 5.4108 -7.7993 -4.4216 H 1 noname 0.0266 40 H17 -1.7552 -0.6597 -3.5723 H 1 noname 0.0290 41 H18 -1.6570 -1.2061 -1.8811 H 1 noname 0.0290 42 H19 7.7059 -6.6077 -6.0432 H 1 noname 0.0264 43 H20 7.8040 -7.1541 -4.3521 H 1 noname 0.0264 44 H21 -1.1289 1.6338 -2.8676 H 1 noname 0.0566 45 H22 -1.0307 1.0874 -1.1764 H 1 noname 0.0566 46 H23 8.6452 -8.8982 -5.9011 H 1 noname 0.0230 47 H24 7.0796 -8.9012 -6.7479 H 1 noname 0.0230 48 H25 7.1777 -9.4476 -5.0567 H 1 noname 0.0230 49 H26 -2.7688 3.1636 -2.2782 H 1 noname 0.0590 50 H27 -2.6706 2.6172 -0.5870 H 1 noname 0.0590 51 H28 -5.1620 2.5184 -2.3477 H 1 noname 0.0590 52 H29 -5.0639 1.9720 -0.6565 H 1 noname 0.0590 53 H30 -6.8020 4.0482 -1.7582 H 1 noname 0.0590 54 H31 -6.7038 3.5018 -0.0670 H 1 noname 0.0590 55 H32 -6.1757 6.3417 -1.0536 H 1 noname 0.0601 56 H33 -6.0775 5.7953 0.6376 H 1 noname 0.0601 57 H34 -8.1161 8.1322 -1.5913 H 1 noname 0.2283 58 H35 -10.1894 7.3559 -0.3984 H 1 noname 0.2283 @BOND 1 1 4 1 2 1 5 1 3 1 6 1 4 1 7 2 5 2 18 1 6 2 20 1 7 3 21 1 8 3 22 1 9 4 23 1 10 5 58 1 11 6 57 1 12 8 9 1 13 8 10 1 14 8 24 1 15 8 25 1 16 9 11 1 17 9 26 1 18 9 27 1 19 10 12 1 20 10 28 1 21 10 29 1 22 11 13 1 23 11 30 1 24 11 31 1 25 12 14 1 26 12 32 1 27 12 33 1 28 13 15 1 29 13 34 1 30 13 35 1 31 14 16 1 32 14 36 1 33 14 37 1 34 15 17 1 35 15 38 1 36 15 39 1 37 16 18 1 38 16 40 1 39 16 41 1 40 17 19 1 41 17 42 1 42 17 43 1 43 18 44 1 44 18 45 1 45 19 46 1 46 19 47 1 47 19 48 1 48 20 21 1 49 20 49 1 50 20 50 1 51 21 51 1 52 21 52 1 53 22 23 1 54 22 53 1 55 22 54 1 56 23 55 1 57 23 56 1 @SUBSTRUCTURE 1 noname 1