@MOLECULE DB07221 63 62 1 SMALL USER_CHARGES @ATOM 1 P1 3.5381 -6.4527 -0.1302 P 1 noname 0.0238 2 O1 2.1615 -6.7970 0.2631 O.2 1 noname -0.2252 3 O2 4.3619 -7.8162 -0.2857 O.3 1 noname -0.1904 4 O3 4.2229 -5.6432 1.0715 O.3 1 noname -0.1904 5 C1 3.6595 -5.5099 -1.5665 C.3 1 noname 0.1969 6 P2 5.3356 -5.5443 -1.8013 P 1 noname 0.0238 7 C2 2.9559 -4.1570 -1.3065 C.3 1 noname -0.0119 8 O4 5.9533 -4.3734 -2.4013 O.2 1 noname -0.2252 9 O5 5.7147 -6.7972 -2.6126 O.3 1 noname -0.1904 10 O6 5.9721 -5.8171 -0.4258 O.3 1 noname -0.1904 11 P3 2.6856 -3.1794 -2.7920 P.3 1 noname 0.5097 12 C3 4.2658 -2.4695 -3.2583 C.3 1 noname -0.0414 13 C4 1.5333 -1.8394 -2.3980 C.3 1 noname -0.0522 14 C5 2.0510 -4.2366 -4.1031 C.3 1 noname -0.0522 15 C6 4.4382 -2.0768 -4.6910 C.3 1 noname -0.0272 16 C7 5.9216 -1.7977 -4.8163 C.3 1 noname -0.0500 17 C8 5.9792 -0.9938 -6.0981 C.3 1 noname -0.0531 18 C9 7.4261 -0.6692 -6.4194 C.3 1 noname -0.0533 19 C10 7.4264 0.1465 -7.7078 C.3 1 noname -0.0533 20 C11 8.8739 0.4789 -8.0615 C.3 1 noname -0.0533 21 C12 8.9046 1.2999 -9.3511 C.3 1 noname -0.0533 22 C13 10.3542 1.6344 -9.7085 C.3 1 noname -0.0533 23 C14 10.3850 2.4562 -10.9990 C.3 1 noname -0.0535 24 C15 11.8347 2.7906 -11.3562 C.3 1 noname -0.0561 25 C16 11.8656 3.6122 -12.6464 C.3 1 noname -0.0654 26 H1 4.5720 -8.1640 0.5841 H 1 noname 0.2260 27 H2 4.5860 -6.2627 1.7087 H 1 noname 0.2260 28 H3 3.1241 -5.7462 -2.4860 H 1 noname 0.0648 29 H4 1.9874 -4.4596 -0.9083 H 1 noname 0.0648 30 H5 3.6672 -3.6318 -0.6692 H 1 noname 0.0648 31 H6 5.9315 -7.5139 -2.0118 H 1 noname 0.2260 32 H7 6.0370 -6.7646 -0.2855 H 1 noname 0.2260 33 H8 4.3781 -1.5075 -2.7582 H 1 noname 0.0628 34 H9 5.0369 -3.2324 -3.1517 H 1 noname 0.0628 35 H10 1.4479 -1.7401 -1.3159 H 1 noname 0.0591 36 H11 1.9040 -0.9055 -2.8205 H 1 noname 0.0591 37 H12 0.5544 -2.0661 -2.8205 H 1 noname 0.0591 38 H13 2.1859 -5.2817 -3.8244 H 1 noname 0.0591 39 H14 0.9903 -4.0342 -4.2517 H 1 noname 0.0591 40 H15 2.5924 -4.0342 -5.0272 H 1 noname 0.0591 41 H16 4.2036 -2.9466 -5.3045 H 1 noname 0.0302 42 H17 3.9025 -1.1402 -4.8457 H 1 noname 0.0302 43 H18 6.2206 -1.1509 -3.9915 H 1 noname 0.0268 44 H19 6.4367 -2.7441 -4.9810 H 1 noname 0.0268 45 H20 5.6166 -1.6439 -6.8943 H 1 noname 0.0266 46 H21 5.4793 -0.0460 -5.8982 H 1 noname 0.0266 47 H22 7.7955 -0.0216 -5.6242 H 1 noname 0.0266 48 H23 7.9287 -1.6128 -6.6316 H 1 noname 0.0266 49 H24 7.0453 -0.5022 -8.4965 H 1 noname 0.0266 50 H25 6.9260 1.0897 -7.4887 H 1 noname 0.0266 51 H26 9.2517 1.1235 -7.2679 H 1 noname 0.0266 52 H27 9.3701 -0.4672 -8.2778 H 1 noname 0.0266 53 H28 8.5258 0.6547 -10.1438 H 1 noname 0.0266 54 H29 8.4077 2.2454 -9.1338 H 1 noname 0.0266 55 H30 10.7329 2.2794 -8.9156 H 1 noname 0.0266 56 H31 10.8509 0.6888 -9.9257 H 1 noname 0.0266 57 H32 10.0064 1.8113 -11.7919 H 1 noname 0.0266 58 H33 9.8884 3.4019 -10.7818 H 1 noname 0.0266 59 H34 12.2134 3.4356 -10.5633 H 1 noname 0.0264 60 H35 12.3314 1.8449 -11.5734 H 1 noname 0.0264 61 H36 11.8861 2.9405 -13.5046 H 1 noname 0.0230 62 H37 10.9766 4.2408 -12.6983 H 1 noname 0.0230 63 H38 12.7560 4.2408 -12.6557 H 1 noname 0.0230 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 7 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 12 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 19 20 1 20 20 21 1 21 21 22 1 22 22 23 1 23 23 24 1 24 24 25 1 25 3 26 1 26 4 27 1 27 5 28 1 28 7 29 1 29 7 30 1 30 9 31 1 31 10 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1 37 14 38 1 38 14 39 1 39 14 40 1 40 15 41 1 41 15 42 1 42 16 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 25 63 1 @SUBSTRUCTURE 1 noname 1