@MOLECULE 72950888 66 71 1 SMALL USER_CHARGES @ATOM 1 F1 -3.2641 8.7296 15.1471 F 1 noname -0.1661 2 F2 0.0363 5.5061 5.1071 F 1 noname -0.1547 3 F3 -11.7440 7.0196 11.1054 F 1 noname -0.1649 4 O1 -4.9957 10.2076 10.2062 O.3 1 noname -0.1952 5 O2 -7.3757 8.0745 12.4968 O.2 1 noname -0.2900 6 O3 -0.9895 3.1876 6.1844 O.3 1 noname -0.2575 7 N1 -5.1160 9.6611 7.2104 N.3 1 noname 0.0329 8 N2 -4.6279 8.4642 7.4252 N.2 1 noname -0.3004 9 N3 -4.7637 11.2859 5.3672 N.2 1 noname -0.2409 10 N4 -3.5796 10.4743 3.5309 N.2 1 noname -0.2583 11 N5 -2.7242 8.2994 3.4292 N.3 1 noname -0.1091 12 C1 -6.0093 10.3925 8.1520 C.3 1 noname 0.0921 13 C2 -6.1766 9.8543 9.5862 C.2 1 noname 0.0367 14 C3 -4.6251 10.0780 6.0054 C.2 1 noname 0.1194 15 C4 -7.1800 9.1112 10.3636 C.2 1 noname 0.0604 16 C5 -3.8916 9.0352 5.4316 C.2 1 noname 0.0018 17 C6 -7.1733 11.1575 7.4953 C.3 1 noname -0.0382 18 C7 -3.8507 8.0271 6.4057 C.2 1 noname 0.0509 19 C8 -6.7188 8.7712 11.6762 C.2 1 noname 0.0960 20 C9 -5.4546 9.0966 12.2175 C.2 1 noname 0.0345 21 C10 -4.5819 9.9008 11.4511 C.2 1 noname 0.0387 22 C11 -3.1049 6.8140 6.4175 C.2 1 noname -0.0238 23 C12 -8.5589 8.6481 9.9813 C.2 1 noname -0.0184 24 C13 -3.3915 9.2511 4.1188 C.2 1 noname 0.0617 25 C14 -4.9788 8.7054 13.4946 C.2 1 noname 0.0421 26 C15 -3.3347 10.3458 11.9430 C.2 1 noname 0.0056 27 C16 -1.8039 6.7757 5.8474 C.2 1 noname 0.0317 28 C17 -3.6175 5.6184 6.9915 C.2 1 noname -0.0214 29 C18 -9.5533 7.9704 10.8099 C.2 1 noname 0.0173 30 C19 -9.0530 8.7956 8.6537 C.2 1 noname -0.0369 31 C20 -4.2414 11.5108 4.1303 C.2 1 noname 0.0605 32 C21 -3.7026 9.1039 13.9741 C.2 1 noname 0.0279 33 C22 -2.8679 9.9490 13.2054 C.2 1 noname 0.0195 34 C23 -1.1046 5.5533 5.7399 C.2 1 noname 0.0568 35 C24 -2.9045 4.4007 6.9213 C.2 1 noname -0.0054 36 C25 -1.6498 4.3697 6.2810 C.2 1 noname 0.0609 37 C26 -10.8582 7.6319 10.3477 C.2 1 noname 0.0305 38 C27 -10.3724 8.5339 8.1862 C.2 1 noname -0.0373 39 C28 -11.2983 7.9596 9.0581 C.2 1 noname 0.0034 40 C29 -0.1444 3.0239 7.3138 C.3 1 noname 0.0588 41 C30 0.5998 1.6915 7.2050 C.3 1 noname -0.0384 42 C31 -0.9898 3.0332 8.5890 C.3 1 noname -0.0384 43 H1 -5.4098 11.3052 8.3127 H 1 noname 0.0597 44 H2 -7.7621 11.6546 8.2662 H 1 noname 0.0254 45 H3 -6.7755 11.9018 6.8054 H 1 noname 0.0254 46 H4 -7.8060 10.4576 6.9495 H 1 noname 0.0254 47 H5 -5.5777 8.1111 14.0894 H 1 noname 0.0661 48 H6 -2.7310 10.9612 11.3816 H 1 noname 0.0651 49 H7 -1.3749 7.6323 5.5077 H 1 noname 0.0661 50 H8 -4.5239 5.5970 7.4608 H 1 noname 0.0630 51 H9 -9.3929 7.6952 11.7596 H 1 noname 0.0659 52 H10 -8.4316 9.0457 7.9298 H 1 noname 0.0629 53 H11 -4.3395 12.4153 3.6691 H 1 noname 0.1062 54 H12 -1.9612 10.2583 13.5557 H 1 noname 0.0654 55 H13 -3.2946 3.5516 7.3304 H 1 noname 0.0651 56 H14 -2.4620 8.6510 2.5640 H 1 noname 0.1258 57 H15 -3.2989 7.5280 3.3041 H 1 noname 0.1258 58 H16 -10.6368 8.7630 7.2281 H 1 noname 0.0623 59 H17 -12.2602 7.7846 8.7674 H 1 noname 0.0653 60 H18 0.5763 3.8408 7.3497 H 1 noname 0.0602 61 H19 1.2484 1.5658 8.0719 H 1 noname 0.0257 62 H20 -0.1210 0.8746 7.1690 H 1 noname 0.0257 63 H21 1.2021 1.6849 6.2965 H 1 noname 0.0257 64 H22 -0.3412 2.9075 9.4559 H 1 noname 0.0257 65 H23 -1.7106 2.2163 8.5530 H 1 noname 0.0257 66 H24 -1.5200 3.9824 8.6665 H 1 noname 0.0257 @BOND 1 1 32 1 2 2 34 1 3 3 37 1 4 4 13 1 5 4 21 1 6 5 19 2 7 6 36 1 8 6 40 1 9 7 8 1 10 7 12 1 11 7 14 1 12 8 18 2 13 9 14 2 14 9 31 1 15 10 24 1 16 10 31 2 17 11 24 1 18 11 56 1 19 11 57 1 20 12 13 1 21 12 17 1 22 12 43 1 23 13 15 2 24 14 16 1 25 15 19 1 26 15 23 1 27 16 18 1 28 16 24 2 29 17 44 1 30 17 45 1 31 17 46 1 32 18 22 1 33 19 20 1 34 20 21 2 35 20 25 1 36 21 26 1 37 22 27 2 38 22 28 1 39 23 29 2 40 23 30 1 41 25 32 2 42 25 47 1 43 26 33 2 44 26 48 1 45 27 34 1 46 27 49 1 47 28 35 2 48 28 50 1 49 29 37 1 50 29 51 1 51 30 38 2 52 30 52 1 53 31 53 1 54 32 33 1 55 33 54 1 56 34 36 2 57 35 36 1 58 35 55 1 59 37 39 2 60 38 39 1 61 38 58 1 62 39 59 1 63 40 41 1 64 40 42 1 65 40 60 1 66 41 61 1 67 41 62 1 68 41 63 1 69 42 64 1 70 42 65 1 71 42 66 1 @SUBSTRUCTURE 1 noname 1