@MOLECULE 71511400 65 67 1 SMALL USER_CHARGES @ATOM 1 P1 -0.2012 -1.6736 -0.2696 P.3 1 noname -0.1880 2 C1 1.4658 -1.9304 -0.8323 C.3 1 noname -0.0252 3 C2 1.6940 -3.3188 -1.4309 C.3 1 noname -0.0475 4 C3 3.1496 -3.4456 -1.8847 C.3 1 noname -0.0528 5 C4 -0.2898 -0.0908 0.4041 C.2 1 noname -0.0389 6 C5 -0.5474 -2.7853 1.0198 C.2 1 noname -0.0389 7 C6 -1.2440 -1.7145 -1.6601 C.2 1 noname -0.0389 8 C7 3.3779 -4.8349 -2.4836 C.3 1 noname -0.0533 9 C8 4.8335 -4.9617 -2.9374 C.3 1 noname -0.0533 10 C9 5.0618 -6.3510 -3.5364 C.3 1 noname -0.0533 11 C10 -1.0093 -0.7471 -2.7109 C.2 1 noname -0.0429 12 C11 0.2768 -2.7474 2.2101 C.2 1 noname -0.0429 13 C12 0.8150 0.5654 1.0695 C.2 1 noname -0.0429 14 C13 -2.3706 -2.5869 -1.9218 C.2 1 noname -0.0429 15 C14 -1.5840 -3.7973 1.0855 C.2 1 noname -0.0429 16 C15 -1.5251 0.6328 0.3634 C.2 1 noname -0.0429 17 C16 6.5174 -6.4778 -3.9902 C.3 1 noname -0.0533 18 C17 6.7457 -7.8670 -4.5891 C.3 1 noname -0.0535 19 C18 0.6815 1.8640 1.6365 C.2 1 noname -0.0556 20 C19 0.0810 -3.6401 3.3041 C.2 1 noname -0.0556 21 C20 -1.8107 -0.6999 -3.8879 C.2 1 noname -0.0556 22 C21 -1.6541 1.9287 0.9274 C.2 1 noname -0.0556 23 C22 -1.7863 -4.6854 2.1725 C.2 1 noname -0.0556 24 C23 -3.1723 -2.5404 -3.0901 C.2 1 noname -0.0556 25 C24 -2.8887 -1.5936 -4.0937 C.2 1 noname -0.0561 26 C25 -0.9388 -4.6207 3.2953 C.2 1 noname -0.0561 27 C26 -0.5535 2.5539 1.5625 C.2 1 noname -0.0561 28 C27 8.2014 -7.9939 -5.0430 C.3 1 noname -0.0561 29 C28 8.4296 -9.3831 -5.6419 C.3 1 noname -0.0654 30 H1 1.7214 -1.1700 -1.5703 H 1 noname 0.0339 31 H2 2.1561 -1.8374 0.0061 H 1 noname 0.0339 32 H3 1.0332 -3.4587 -2.2864 H 1 noname 0.0272 33 H4 1.4804 -4.0783 -0.6788 H 1 noname 0.0272 34 H5 3.3632 -2.6861 -2.6368 H 1 noname 0.0267 35 H6 3.8104 -3.3057 -1.0292 H 1 noname 0.0267 36 H7 2.7171 -4.9748 -3.3391 H 1 noname 0.0266 37 H8 3.1643 -5.5944 -1.7315 H 1 noname 0.0266 38 H9 5.0471 -4.2022 -3.6895 H 1 noname 0.0266 39 H10 5.4943 -4.8218 -2.0819 H 1 noname 0.0266 40 H11 4.4010 -6.4908 -4.3919 H 1 noname 0.0266 41 H12 4.8482 -7.1104 -2.7843 H 1 noname 0.0266 42 H13 1.7281 0.1125 1.1763 H 1 noname 0.0631 43 H14 1.0471 -2.0857 2.3471 H 1 noname 0.0631 44 H15 -0.2725 -0.0324 -2.6670 H 1 noname 0.0631 45 H16 -2.3619 0.2321 -0.0583 H 1 noname 0.0631 46 H17 -2.2673 -3.9954 0.3981 H 1 noname 0.0631 47 H18 -2.7248 -3.2941 -1.3264 H 1 noname 0.0631 48 H19 6.7310 -5.7183 -4.7423 H 1 noname 0.0266 49 H20 7.1782 -6.3379 -3.1347 H 1 noname 0.0266 50 H21 6.0849 -8.0069 -5.4446 H 1 noname 0.0266 51 H22 6.5321 -8.6265 -3.8370 H 1 noname 0.0266 52 H23 -1.6017 -0.0025 -4.6023 H 1 noname 0.0622 53 H24 0.6938 -3.5700 4.1165 H 1 noname 0.0622 54 H25 1.4793 2.3002 2.0986 H 1 noname 0.0622 55 H26 -3.9509 -3.1895 -3.2034 H 1 noname 0.0622 56 H27 -2.5429 -5.3687 2.1412 H 1 noname 0.0622 57 H28 -2.5492 2.4150 0.8748 H 1 noname 0.0622 58 H29 -3.4461 -1.5530 -4.9470 H 1 noname 0.0622 59 H30 -1.0568 -5.2621 4.0795 H 1 noname 0.0622 60 H31 -0.6487 3.4880 1.9611 H 1 noname 0.0622 61 H32 8.4150 -7.2344 -5.7951 H 1 noname 0.0264 62 H33 8.8621 -7.8540 -4.1875 H 1 noname 0.0264 63 H34 9.4667 -9.4735 -5.9652 H 1 noname 0.0230 64 H35 7.7688 -9.5230 -6.4974 H 1 noname 0.0230 65 H36 8.2160 -10.1426 -4.8898 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 5 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 30 1 7 2 31 1 8 3 4 1 9 3 32 1 10 3 33 1 11 4 8 1 12 4 34 1 13 4 35 1 14 5 13 2 15 5 16 1 16 6 12 2 17 6 15 1 18 7 11 2 19 7 14 1 20 8 9 1 21 8 36 1 22 8 37 1 23 9 10 1 24 9 38 1 25 9 39 1 26 10 17 1 27 10 40 1 28 10 41 1 29 11 21 1 30 11 44 1 31 12 20 1 32 12 43 1 33 13 19 1 34 13 42 1 35 14 24 2 36 14 47 1 37 15 23 2 38 15 46 1 39 16 22 2 40 16 45 1 41 17 18 1 42 17 48 1 43 17 49 1 44 18 28 1 45 18 50 1 46 18 51 1 47 19 27 2 48 19 54 1 49 20 26 2 50 20 53 1 51 21 25 2 52 21 52 1 53 22 27 1 54 22 57 1 55 23 26 1 56 23 56 1 57 24 25 1 58 24 55 1 59 25 58 1 60 26 59 1 61 27 60 1 62 28 29 1 63 28 61 1 64 28 62 1 65 29 63 1 66 29 64 1 67 29 65 1 @SUBSTRUCTURE 1 noname 1