@MOLECULE 91617739 71 73 1 SMALL USER_CHARGES @ATOM 1 P1 3.5669 -5.7304 -1.4222 P 1 noname -0.0623 2 O1 3.6090 -8.6267 -3.9159 O.3 1 noname -0.3432 3 O2 3.2224 -7.0084 -2.3252 O.3 1 noname -0.1550 4 O3 6.5802 -9.7366 -3.7704 O.3 1 noname -0.3873 5 O4 4.1899 -11.2762 -1.5774 O.3 1 noname -0.3875 6 O5 6.6203 -7.4746 -2.2831 O.3 1 noname -0.3849 7 O6 4.3315 -6.3033 -0.1577 O.3 1 noname -0.1874 8 O7 2.3305 -5.0550 -1.0190 O.2 1 noname -0.2284 9 O8 3.2231 -2.4645 -1.8615 O.2 1 noname -0.2898 10 O9 4.3785 0.9102 -0.5052 O.3 1 noname -0.2138 11 O10 3.8313 0.9099 1.6795 O.2 1 noname -0.2493 12 N1 4.5472 -4.7292 -2.2922 N.3 1 noname -0.0041 13 N2 4.5204 -1.9215 0.0601 N.3 1 noname -0.0653 14 N3 0.5743 0.3868 3.5825 N.3 1 noname -0.0759 15 C1 5.8050 -9.7451 -2.5807 C.3 1 noname 0.1133 16 C2 4.5279 -10.6291 -2.7954 C.3 1 noname 0.1087 17 C3 5.4580 -8.2835 -2.1774 C.3 1 noname 0.1342 18 C4 3.2674 -9.9220 -3.3745 C.3 1 noname 0.0866 19 C5 4.2958 -7.6559 -3.0545 C.3 1 noname 0.1999 20 C6 2.6565 -10.7903 -4.4761 C.3 1 noname -0.0359 21 C7 5.2924 -3.7046 -1.5440 C.3 1 noname 0.0936 22 C8 6.2955 -2.9827 -2.4513 C.3 1 noname -0.0262 23 C9 7.2908 -3.9965 -3.0194 C.3 1 noname -0.0451 24 C10 4.2445 -2.6664 -1.1697 C.2 1 noname 0.0498 25 C11 3.3522 -1.1434 0.4931 C.3 1 noname 0.1040 26 C12 8.2918 -3.2760 -3.9248 C.3 1 noname -0.0627 27 C13 8.0391 -4.6753 -1.8704 C.3 1 noname -0.0627 28 C14 2.9191 -1.7673 1.8371 C.3 1 noname -0.0005 29 C15 1.7321 -1.1176 2.4106 C.2 1 noname -0.0315 30 C16 0.3826 -1.3498 2.1557 C.2 1 noname -0.0322 31 C17 -0.3025 -0.3678 2.9146 C.2 1 noname -0.0886 32 C18 1.8206 -0.0563 3.3076 C.2 1 noname -0.1057 33 C19 3.8742 0.3008 0.5888 C.2 1 noname 0.1442 34 C20 -0.3155 -2.3012 1.3518 C.2 1 noname -0.0400 35 C21 -1.7255 -0.2746 2.9217 C.2 1 noname -0.0441 36 C22 -1.7424 -2.2145 1.3527 C.2 1 noname -0.0540 37 C23 -2.4320 -1.2227 2.1217 C.2 1 noname -0.0512 38 H1 6.4647 -10.1676 -1.8227 H 1 noname 0.0658 39 H2 4.8114 -11.4329 -3.4748 H 1 noname 0.0656 40 H3 5.0860 -8.3244 -1.1537 H 1 noname 0.0683 41 H4 2.5793 -9.7558 -2.5456 H 1 noname 0.0629 42 H5 4.7938 -6.9573 -3.7469 H 1 noname 0.0960 43 H6 2.3988 -11.7674 -4.0676 H 1 noname 0.0258 44 H7 1.7576 -10.3091 -4.8615 H 1 noname 0.0258 45 H8 3.3777 -10.9130 -5.2840 H 1 noname 0.0258 46 H9 5.8346 -4.1340 -0.6936 H 1 noname 0.0569 47 H10 5.7624 -2.4991 -3.2699 H 1 noname 0.0290 48 H11 6.8327 -2.2309 -1.8732 H 1 noname 0.0290 49 H12 6.7536 -4.7483 -3.5975 H 1 noname 0.0298 50 H13 6.8501 -10.6525 -3.9910 H 1 noname 0.2106 51 H14 4.0051 -4.2821 -3.0343 H 1 noname 0.1386 52 H15 4.0091 -10.6028 -0.8889 H 1 noname 0.2106 53 H16 7.3153 -7.8220 -1.6859 H 1 noname 0.2108 54 H17 2.4885 -1.1383 -0.1884 H 1 noname 0.0581 55 H18 9.0008 -3.9982 -4.3295 H 1 noname 0.0233 56 H19 7.7587 -2.7924 -4.7434 H 1 noname 0.0233 57 H20 8.8290 -2.5242 -3.3467 H 1 noname 0.0233 58 H21 8.7482 -5.3975 -2.2751 H 1 noname 0.0233 59 H22 7.3260 -5.1885 -1.2253 H 1 noname 0.0233 60 H23 8.5763 -3.9234 -1.2923 H 1 noname 0.0233 61 H24 5.3686 -1.9396 0.5302 H 1 noname 0.1319 62 H25 2.7197 -2.8297 1.6969 H 1 noname 0.0338 63 H26 3.7747 -1.6292 2.4981 H 1 noname 0.0338 64 H27 2.6846 0.3241 3.6938 H 1 noname 0.0792 65 H28 0.3533 1.1287 4.1670 H 1 noname 0.1522 66 H29 0.1785 -3.0064 0.8049 H 1 noname 0.0629 67 H30 -2.2136 0.4334 3.4703 H 1 noname 0.0642 68 H31 -2.2819 -2.8745 0.7926 H 1 noname 0.0622 69 H32 -3.4513 -1.1930 2.0974 H 1 noname 0.0623 70 H33 3.7502 -6.9327 0.3180 H 1 noname 0.2273 71 H34 5.0774 1.5903 -0.4088 H 1 noname 0.2213 @BOND 1 1 3 1 2 1 7 1 3 1 8 2 4 1 12 1 5 2 18 1 6 2 19 1 7 19 3 1 8 15 4 1 9 4 50 1 10 16 5 1 11 5 52 1 12 17 6 1 13 6 53 1 14 7 70 1 15 9 24 2 16 10 33 1 17 10 71 1 18 11 33 2 19 21 12 1 20 12 51 1 21 13 24 1 22 25 13 1 23 13 61 1 24 14 31 1 25 14 32 1 26 14 65 1 27 15 16 1 28 15 17 1 29 15 38 1 30 16 18 1 31 16 39 1 32 17 19 1 33 17 40 1 34 18 20 1 35 18 41 1 36 19 42 1 37 20 43 1 38 20 44 1 39 20 45 1 40 21 22 1 41 21 24 1 42 21 46 1 43 22 23 1 44 22 47 1 45 22 48 1 46 23 26 1 47 23 27 1 48 23 49 1 49 25 28 1 50 25 33 1 51 25 54 1 52 26 55 1 53 26 56 1 54 26 57 1 55 27 58 1 56 27 59 1 57 27 60 1 58 28 29 1 59 28 62 1 60 28 63 1 61 29 30 1 62 29 32 2 63 30 31 1 64 30 34 2 65 31 35 2 66 32 64 1 67 34 36 1 68 34 66 1 69 35 37 1 70 35 67 1 71 36 37 2 72 36 68 1 73 37 69 1 @SUBSTRUCTURE 1 noname 1