@MOLECULE 174364 64 68 1 SMALL USER_CHARGES @ATOM 1 F1 6.7053 -0.2115 -1.6339 F 1 noname -0.1548 2 C1 6.0265 -0.3323 -0.5306 C.2 1 noname 0.0547 3 C2 6.6507 -0.7980 0.6694 C.2 1 noname 0.0564 4 C3 4.6423 -0.0049 -0.4839 C.2 1 noname 0.0264 5 O1 7.9664 -1.0987 0.6365 O.3 1 noname -0.2622 6 C4 5.9438 -0.9595 1.9032 C.2 1 noname -0.0075 7 C5 3.8840 -0.1330 0.7450 C.2 1 noname -0.0266 8 C6 8.7245 0.0576 0.9602 C.3 1 noname 0.0424 9 C7 4.5586 -0.6289 1.9284 C.2 1 noname -0.0272 10 C8 2.5044 0.2654 0.7291 C.2 1 noname 0.0304 11 N1 1.7778 0.1972 -0.4371 N.2 1 noname -0.2031 12 C9 1.8561 0.7827 1.9042 C.2 1 noname -0.0091 13 C10 0.4695 0.5935 -0.5740 C.2 1 noname 0.0515 14 C11 0.5212 1.1847 1.8346 C.2 1 noname -0.0133 15 N2 -0.1976 0.5702 -1.7640 N.2 1 noname -0.2302 16 C12 -0.1692 1.0811 0.6033 C.2 1 noname -0.0108 17 C13 -1.5034 0.9779 -1.8726 C.2 1 noname 0.0952 18 C14 -1.5156 1.5081 0.4687 C.2 1 noname 0.0567 19 N3 -2.1043 1.4155 -0.7425 N.2 1 noname -0.2368 20 N4 -2.2576 1.0545 -3.0142 N.3 1 noname -0.0544 21 N5 -2.2583 2.1404 1.4288 N.3 1 noname -0.0852 22 C15 -1.6885 1.6354 -4.2115 C.3 1 noname 0.0322 23 C16 -3.6829 0.7209 -2.9833 C.3 1 noname 0.0322 24 C17 -3.0369 1.3992 2.3978 C.3 1 noname 0.0365 25 C18 -2.3041 3.5793 1.3724 C.3 1 noname 0.0284 26 C19 -2.6410 2.6784 -4.8741 C.3 1 noname 0.0684 27 C20 -4.5443 1.9675 -3.3779 C.3 1 noname 0.0684 28 C21 -4.4386 2.0373 2.6601 C.3 1 noname 0.0625 29 C22 -2.2623 1.3108 3.7142 C.3 1 noname -0.0469 30 C23 -3.7693 4.0797 1.2211 C.3 1 noname 0.0599 31 O2 -3.7845 3.0219 -4.0417 O.3 1 noname -0.3727 32 C24 -1.8783 3.9800 -5.1055 C.3 1 noname -0.0374 33 C25 -5.1298 2.6186 -2.1276 C.3 1 noname -0.0374 34 O3 -4.7493 3.1071 1.7111 O.3 1 noname -0.3783 35 H1 4.1595 0.3465 -1.3958 H 1 noname 0.0661 36 H2 6.4465 -1.3243 2.7990 H 1 noname 0.0651 37 H3 8.7900 0.1576 2.0436 H 1 noname 0.0535 38 H4 9.7269 -0.0365 0.5427 H 1 noname 0.0535 39 H5 8.2383 0.9394 0.5427 H 1 noname 0.0535 40 H6 4.0099 -0.7566 2.8615 H 1 noname 0.0630 41 H7 2.3808 0.8709 2.8555 H 1 noname 0.0645 42 H8 0.0269 1.5723 2.7254 H 1 noname 0.0632 43 H9 -0.8039 2.1710 -3.8670 H 1 noname 0.0462 44 H10 -1.5845 0.7997 -4.9034 H 1 noname 0.0462 45 H11 -3.8196 -0.0354 -3.7562 H 1 noname 0.0462 46 H12 -3.9014 0.4821 -1.9425 H 1 noname 0.0462 47 H13 -3.1520 0.4192 1.9347 H 1 noname 0.0492 48 H14 -1.9356 3.9135 2.3422 H 1 noname 0.0459 49 H15 -1.7649 3.8453 0.4632 H 1 noname 0.0459 50 H16 -3.0530 2.2442 -5.7850 H 1 noname 0.0613 51 H17 -5.2976 1.6337 -4.0915 H 1 noname 0.0613 52 H18 -5.1868 1.2676 2.4707 H 1 noname 0.0582 53 H19 -4.3956 2.5280 3.6325 H 1 noname 0.0582 54 H20 -2.1085 0.2639 3.9757 H 1 noname 0.0247 55 H21 -1.2963 1.8028 3.6011 H 1 noname 0.0247 56 H22 -2.8304 1.8028 4.5038 H 1 noname 0.0247 57 H23 -3.8829 4.9466 1.8720 H 1 noname 0.0580 58 H24 -3.9709 4.1694 0.1536 H 1 noname 0.0580 59 H25 -1.6179 4.4243 -4.1448 H 1 noname 0.0257 60 H26 -0.9682 3.7727 -5.6684 H 1 noname 0.0257 61 H27 -2.5040 4.6726 -5.6684 H 1 noname 0.0257 62 H28 -5.4550 1.8440 -1.4330 H 1 noname 0.0257 63 H29 -4.3702 3.2383 -1.6510 H 1 noname 0.0257 64 H30 -5.9822 3.2383 -2.4058 H 1 noname 0.0257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 2 15 13 15 2 16 13 16 1 17 14 16 1 18 15 17 1 19 16 18 2 20 17 19 2 21 17 20 1 22 18 21 1 23 18 19 1 24 20 22 1 25 20 23 1 26 24 21 1 27 21 25 1 28 26 22 1 29 27 23 1 30 24 28 1 31 24 29 1 32 25 30 1 33 26 31 1 34 26 32 1 35 27 33 1 36 27 31 1 37 28 34 1 38 30 34 1 39 4 35 1 40 6 36 1 41 8 37 1 42 8 38 1 43 8 39 1 44 9 40 1 45 12 41 1 46 14 42 1 47 22 43 1 48 22 44 1 49 23 45 1 50 23 46 1 51 24 47 1 52 25 48 1 53 25 49 1 54 26 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 29 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 30 58 1 63 32 59 1 64 32 60 1 65 32 61 1 66 33 62 1 67 33 63 1 68 33 64 1 @SUBSTRUCTURE 1 noname 1