@MOLECULE 245493 65 69 1 SMALL USER_CHARGES @ATOM 1 F1 -1.2183 -1.6240 -6.5582 F 1 noname -0.1250 2 C1 -0.0457 -1.9514 -6.0993 C.2 1 noname 0.0924 3 N1 0.9877 -2.1660 -6.9640 N.2 1 noname -0.1766 4 C2 0.1581 -2.0864 -4.6800 C.2 1 noname 0.0283 5 C3 2.2512 -2.5151 -6.5316 C.2 1 noname 0.0645 6 C4 -0.9148 -1.8699 -3.7242 C.2 1 noname -0.0299 7 C5 1.5021 -2.4534 -4.2853 C.2 1 noname -0.0086 8 O1 3.2158 -2.7087 -7.4561 O.3 1 noname -0.2408 9 C6 2.5862 -2.6807 -5.1590 C.2 1 noname 0.0007 10 C7 -0.6695 -2.0267 -2.3199 C.2 1 noname -0.0044 11 C8 -2.2455 -1.4932 -4.1646 C.2 1 noname -0.0208 12 C9 3.2219 -4.0714 -7.8555 C.3 1 noname 0.0563 13 C10 -1.7227 -1.8054 -1.4253 C.2 1 noname 0.0158 14 C11 -3.3314 -1.2661 -3.2923 C.2 1 noname -0.0061 15 C12 4.3151 -4.2908 -8.9032 C.3 1 noname -0.0162 16 C13 -3.0203 -1.4319 -1.9247 C.2 1 noname 0.0475 17 C14 -1.5454 -1.9004 -0.0458 C.2 1 noname 0.0301 18 C15 4.3217 -5.7591 -9.3335 C.3 1 noname -0.0002 19 N2 -4.0131 -1.1923 -1.0367 N.2 1 noname -0.2391 20 N3 -0.4708 -2.2345 0.6815 N.3 1 noname -0.1035 21 C16 -2.5967 -1.5954 0.8061 C.2 1 noname 0.0324 22 N4 5.3663 -5.9688 -10.3347 N.3 1 noname -0.3092 23 C17 -3.8699 -1.2511 0.3105 C.2 1 noname 0.0275 24 C18 -0.8391 -2.0844 1.9688 C.2 1 noname 0.1307 25 C19 0.7854 -2.6560 0.1995 C.3 1 noname 0.0470 26 N5 -2.1322 -1.6892 2.0513 N.3 1 noname -0.1055 27 C20 5.3727 -7.3718 -10.7458 C.3 1 noname -0.0136 28 C21 6.6664 -5.6228 -9.7624 C.3 1 noname -0.0136 29 O2 -0.0914 -2.2823 2.9507 O.2 1 noname -0.2509 30 C22 0.7921 -4.1793 0.0569 C.3 1 noname 0.0632 31 C23 1.8778 -2.2311 1.1830 C.3 1 noname -0.0322 32 C24 -2.8524 -1.4263 3.2346 C.3 1 noname 0.0008 33 O3 2.0572 -4.6038 -0.4285 O.3 1 noname -0.3796 34 C25 3.2409 -2.6884 0.6599 C.3 1 noname -0.0280 35 C26 3.2768 -4.0426 0.0404 C.3 1 noname 0.0468 36 H1 1.7196 -2.5704 -3.2237 H 1 noname 0.0632 37 H2 3.5811 -2.9562 -4.8092 H 1 noname 0.0667 38 H3 0.3098 -2.3118 -1.9355 H 1 noname 0.0636 39 H4 -2.4440 -1.3719 -5.2295 H 1 noname 0.0629 40 H5 3.4922 -4.6349 -6.9624 H 1 noname 0.0573 41 H6 2.2570 -4.2385 -8.3341 H 1 noname 0.0573 42 H7 -4.3245 -0.9869 -3.6443 H 1 noname 0.0645 43 H8 4.0327 -3.7074 -9.7795 H 1 noname 0.0303 44 H9 5.2678 -4.1038 -8.4078 H 1 noname 0.0303 45 H10 4.6120 -6.3541 -8.4676 H 1 noname 0.0431 46 H11 3.3769 -5.9577 -9.8393 H 1 noname 0.0431 47 H12 -4.7232 -1.0355 0.9536 H 1 noname 0.0857 48 H13 0.9002 -2.1622 -0.7654 H 1 noname 0.0500 49 H14 5.3755 -8.0094 -9.8618 H 1 noname 0.0394 50 H15 4.4836 -7.5799 -11.3411 H 1 noname 0.0394 51 H16 6.2635 -7.5719 -11.3411 H 1 noname 0.0394 52 H17 6.6007 -5.6402 -8.6745 H 1 noname 0.0394 53 H18 7.4127 -6.3451 -10.0930 H 1 noname 0.0394 54 H19 6.9550 -4.6250 -10.0930 H 1 noname 0.0394 55 H20 0.7028 -4.6121 1.0533 H 1 noname 0.0583 56 H21 0.0770 -4.4488 -0.7204 H 1 noname 0.0583 57 H22 1.8915 -1.1411 1.1863 H 1 noname 0.0284 58 H23 1.6969 -2.7766 2.1091 H 1 noname 0.0284 59 H24 -3.1377 -2.3681 3.7033 H 1 noname 0.0404 60 H25 -2.2280 -0.8537 3.9204 H 1 noname 0.0404 61 H26 -3.7484 -0.8537 2.9950 H 1 noname 0.0404 62 H27 3.4961 -2.0039 -0.1490 H 1 noname 0.0290 63 H28 3.8872 -2.7637 1.5345 H 1 noname 0.0290 64 H29 3.5898 -4.7233 0.8321 H 1 noname 0.0566 65 H30 3.8808 -3.9409 -0.8612 H 1 noname 0.0566 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 9 1 12 8 12 1 13 10 13 1 14 11 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 14 16 1 19 15 18 1 20 16 19 2 21 17 20 1 22 17 21 1 23 18 22 1 24 19 23 1 25 20 24 1 26 25 20 1 27 21 26 1 28 21 23 2 29 22 27 1 30 22 28 1 31 24 29 2 32 24 26 1 33 25 30 1 34 25 31 1 35 26 32 1 36 30 33 1 37 31 34 1 38 33 35 1 39 34 35 1 40 7 36 1 41 9 37 1 42 10 38 1 43 11 39 1 44 12 40 1 45 12 41 1 46 14 42 1 47 15 43 1 48 15 44 1 49 18 45 1 50 18 46 1 51 23 47 1 52 25 48 1 53 27 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 28 54 1 59 30 55 1 60 30 56 1 61 31 57 1 62 31 58 1 63 32 59 1 64 32 60 1 65 32 61 1 66 34 62 1 67 34 63 1 68 35 64 1 69 35 65 1 @SUBSTRUCTURE 1 noname 1