@MOLECULE 56841675 64 63 1 SMALL USER_CHARGES @ATOM 1 P1 1.6199 -0.2484 0.0340 P.3 1 noname -0.1017 2 P2 -2.1033 -1.7993 0.6076 P.3 1 noname -0.1017 3 O1 -4.7429 0.3037 2.4804 O.3 1 noname -0.3812 4 O2 3.8572 0.1583 3.1527 O.3 1 noname -0.3812 5 O3 -3.3310 -4.4204 -1.9457 O.3 1 noname -0.3812 6 O4 2.2339 2.0919 -2.9732 O.3 1 noname -0.3812 7 C1 -0.7156 -1.3659 -0.1727 C.3 1 noname -0.0284 8 C2 0.2323 -0.6818 0.8144 C.3 1 noname -0.0284 9 C3 -3.1255 -2.5371 -0.4569 C.3 1 noname -0.0088 10 C4 2.6422 0.4894 1.0985 C.3 1 noname -0.0088 11 C5 -2.8304 -0.4530 1.2252 C.3 1 noname -0.0088 12 C6 1.2583 0.7935 -1.1933 C.3 1 noname -0.0088 13 C7 2.9775 -0.4766 2.2366 C.3 1 noname 0.0506 14 C8 2.5451 1.1953 -1.9170 C.3 1 noname 0.0506 15 C9 -2.4513 -3.7854 -1.0296 C.3 1 noname 0.0506 16 C10 -4.1171 -0.8549 1.9489 C.3 1 noname 0.0506 17 C11 -5.9371 -0.0693 3.1520 C.3 1 noname 0.0439 18 C12 4.1684 -0.7383 4.2090 C.3 1 noname 0.0439 19 C13 3.4282 2.4649 -3.6448 C.3 1 noname 0.0439 20 C14 -2.7053 -5.5790 -2.4773 C.3 1 noname 0.0439 21 C15 3.0929 3.4310 -4.7829 C.3 1 noname -0.0416 22 C16 5.1162 -0.0541 5.1961 C.3 1 noname -0.0416 23 C17 -6.6113 1.1791 3.7247 C.3 1 noname -0.0416 24 C18 -3.6531 -6.2631 -3.4644 C.3 1 noname -0.0416 25 H1 -0.2481 0.2076 1.2224 H 1 noname 0.0319 26 H2 0.4711 -1.3700 1.6252 H 1 noname 0.0319 27 H3 -0.9545 -0.6776 -0.9835 H 1 noname 0.0319 28 H4 -0.2353 -2.2552 -0.5807 H 1 noname 0.0319 29 H5 2.1618 1.3788 1.5065 H 1 noname 0.0339 30 H6 3.5589 0.7757 0.5830 H 1 noname 0.0339 31 H7 0.5831 0.3061 -1.8966 H 1 noname 0.0339 32 H8 0.7780 1.6828 -0.7853 H 1 noname 0.0339 33 H9 -3.0693 0.2352 0.4145 H 1 noname 0.0339 34 H10 -2.1551 0.0344 1.9285 H 1 noname 0.0339 35 H11 -4.0422 -2.8234 0.0586 H 1 noname 0.0339 36 H12 -3.3644 -1.8488 -1.2677 H 1 noname 0.0339 37 H13 -2.2124 -4.4737 -0.2188 H 1 noname 0.0569 38 H14 -1.5346 -3.4991 -1.5451 H 1 noname 0.0569 39 H15 -4.7924 -1.3423 1.2456 H 1 noname 0.0569 40 H16 -3.8783 -1.5431 2.7597 H 1 noname 0.0569 41 H17 2.0607 -0.7629 2.7521 H 1 noname 0.0569 42 H18 3.4578 -1.3660 1.8286 H 1 noname 0.0569 43 H19 3.0254 0.3060 -2.3250 H 1 noname 0.0569 44 H20 3.2204 1.6827 -1.2137 H 1 noname 0.0569 45 H21 -2.4664 -6.2672 -1.6665 H 1 noname 0.0563 46 H22 3.9085 1.5756 -4.0528 H 1 noname 0.0563 47 H23 4.1034 2.9523 -2.9416 H 1 noname 0.0563 48 H24 3.2517 -1.0246 4.7245 H 1 noname 0.0563 49 H25 4.6487 -1.6276 3.8010 H 1 noname 0.0563 50 H26 -6.6124 -0.5567 2.4488 H 1 noname 0.0563 51 H27 -5.6983 -0.7575 3.9628 H 1 noname 0.0563 52 H28 -1.7885 -5.2927 -2.9928 H 1 noname 0.0563 53 H29 5.3551 -0.7424 6.0069 H 1 noname 0.0254 54 H30 4.6359 0.8352 5.6041 H 1 noname 0.0254 55 H31 6.0330 0.2321 4.6806 H 1 noname 0.0254 56 H32 4.0096 3.7173 -5.2984 H 1 noname 0.0254 57 H33 2.4176 2.9436 -5.4861 H 1 noname 0.0254 58 H34 2.6125 4.3203 -4.3749 H 1 noname 0.0254 59 H35 -7.5281 0.8928 4.2402 H 1 noname 0.0254 60 H36 -6.8502 1.8673 2.9139 H 1 noname 0.0254 61 H37 -5.9361 1.6665 4.4279 H 1 noname 0.0254 62 H38 -3.1728 -7.1525 -3.8724 H 1 noname 0.0254 63 H39 -4.5698 -6.5494 -2.9488 H 1 noname 0.0254 64 H40 -3.8920 -5.5749 -4.2752 H 1 noname 0.0254 @BOND 1 1 8 1 2 1 10 1 3 1 12 1 4 2 7 1 5 2 9 1 6 2 11 1 7 3 16 1 8 3 17 1 9 4 13 1 10 4 18 1 11 5 15 1 12 5 20 1 13 6 14 1 14 6 19 1 15 7 8 1 16 7 27 1 17 7 28 1 18 8 25 1 19 8 26 1 20 9 15 1 21 9 35 1 22 9 36 1 23 10 13 1 24 10 29 1 25 10 30 1 26 11 16 1 27 11 33 1 28 11 34 1 29 12 14 1 30 12 31 1 31 12 32 1 32 13 41 1 33 13 42 1 34 14 43 1 35 14 44 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 17 23 1 41 17 50 1 42 17 51 1 43 18 22 1 44 18 48 1 45 18 49 1 46 19 21 1 47 19 46 1 48 19 47 1 49 20 24 1 50 20 45 1 51 20 52 1 52 21 56 1 53 21 57 1 54 21 58 1 55 22 53 1 56 22 54 1 57 22 55 1 58 23 59 1 59 23 60 1 60 23 61 1 61 24 62 1 62 24 63 1 63 24 64 1 @SUBSTRUCTURE 1 noname 1