@MOLECULE 174354 61 65 1 SMALL USER_CHARGES @ATOM 1 F1 5.3853 3.5238 0.9582 F 1 noname -0.1548 2 C1 4.5896 2.9542 1.8155 C.2 1 noname 0.0547 3 C2 5.0652 2.5417 3.1001 C.2 1 noname 0.0564 4 C3 3.2184 2.7228 1.5023 C.2 1 noname 0.0264 5 O1 6.3611 2.7652 3.4054 O.3 1 noname -0.2622 6 C4 4.2381 1.9048 4.0772 C.2 1 noname -0.0075 7 C5 2.3421 2.0891 2.4605 C.2 1 noname -0.0266 8 C6 6.4902 4.0402 4.0171 C.3 1 noname 0.0424 9 C7 2.8723 1.6762 3.7442 C.2 1 noname -0.0272 10 C8 0.9674 1.9247 2.1091 C.2 1 noname 0.0304 11 N1 0.5998 1.7952 0.7830 N.2 1 noname -0.2031 12 C9 -0.0644 1.9519 3.1054 C.2 1 noname -0.0091 13 C10 -0.6855 1.7008 0.3503 C.2 1 noname 0.0515 14 C11 -1.3964 1.8324 2.7163 C.2 1 noname -0.0133 15 N2 -1.0073 1.6498 -0.9797 N.2 1 noname -0.2299 16 C12 -1.7068 1.6998 1.3377 C.2 1 noname -0.0106 17 C13 -2.3062 1.5688 -1.4116 C.2 1 noname 0.0954 18 C14 -3.0205 1.6014 0.8530 C.2 1 noname 0.0568 19 N3 -3.2593 1.5351 -0.4642 N.2 1 noname -0.2366 20 N4 -2.7762 1.5531 -2.6990 N.3 1 noname -0.0528 21 N5 -4.1052 1.6920 1.5910 N.3 1 noname -0.0852 22 C15 -2.2385 2.4927 -3.6672 C.3 1 noname 0.0380 23 C16 -3.9349 0.7213 -3.0269 C.3 1 noname 0.0299 24 C17 -4.6914 0.5194 2.1654 C.3 1 noname 0.0365 25 C18 -4.7207 2.9769 1.5723 C.3 1 noname 0.0284 26 C19 -3.3631 3.2032 -4.4901 C.3 1 noname 0.0625 27 C20 -1.2897 1.8172 -4.6707 C.3 1 noname -0.0468 28 C21 -5.0950 1.6005 -3.5825 C.3 1 noname 0.0600 29 C22 -6.2589 0.6192 2.2186 C.3 1 noname 0.0625 30 C23 -4.1450 0.3166 3.5800 C.3 1 noname -0.0469 31 C24 -6.1283 2.7953 0.9100 C.3 1 noname 0.0599 32 O2 -4.7215 2.9457 -4.0180 O.3 1 noname -0.3783 33 O3 -6.8710 1.5804 1.2892 O.3 1 noname -0.3783 34 H1 2.8391 3.0311 0.5280 H 1 noname 0.0661 35 H2 4.6363 1.6029 5.0459 H 1 noname 0.0651 36 H3 6.4786 3.9260 5.1010 H 1 noname 0.0535 37 H4 7.4309 4.4970 3.7099 H 1 noname 0.0535 38 H5 5.6600 4.6763 3.7099 H 1 noname 0.0535 39 H6 2.2304 1.1835 4.4745 H 1 noname 0.0630 40 H7 0.1651 2.0641 4.1650 H 1 noname 0.0645 41 H8 -2.1793 1.8424 3.4746 H 1 noname 0.0632 42 H9 -1.6973 3.1790 -3.0160 H 1 noname 0.0493 43 H10 -3.6030 0.0648 -3.8312 H 1 noname 0.0459 44 H11 -4.2659 0.2974 -2.0788 H 1 noname 0.0459 45 H12 -4.3667 -0.2791 1.4983 H 1 noname 0.0492 46 H13 -4.8567 3.2557 2.6172 H 1 noname 0.0459 47 H14 -4.1016 3.5927 0.9200 H 1 noname 0.0459 48 H15 -3.2289 4.2759 -4.3515 H 1 noname 0.0582 49 H16 -3.3412 2.7762 -5.4928 H 1 noname 0.0582 50 H17 -0.5190 1.2686 -4.1294 H 1 noname 0.0247 51 H18 -1.8548 1.1271 -5.2972 H 1 noname 0.0247 52 H19 -0.8226 2.5771 -5.2972 H 1 noname 0.0247 53 H20 -5.4472 1.1145 -4.4924 H 1 noname 0.0580 54 H21 -5.7827 1.7704 -2.7541 H 1 noname 0.0580 55 H22 -6.6458 -0.3466 1.8934 H 1 noname 0.0582 56 H23 -6.5153 1.0048 3.2053 H 1 noname 0.0582 57 H24 -4.0643 -0.7501 3.7889 H 1 noname 0.0247 58 H25 -3.1605 0.7778 3.6588 H 1 noname 0.0247 59 H26 -4.8209 0.7778 4.3002 H 1 noname 0.0247 60 H27 -6.7511 3.6120 1.2750 H 1 noname 0.0580 61 H28 -5.9555 2.6779 -0.1598 H 1 noname 0.0580 @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 22 20 1 25 20 23 1 26 24 21 1 27 21 25 1 28 22 26 1 29 22 27 1 30 23 28 1 31 24 29 1 32 24 30 1 33 25 31 1 34 26 32 1 35 28 32 1 36 29 33 1 37 31 33 1 38 4 34 1 39 6 35 1 40 8 36 1 41 8 37 1 42 8 38 1 43 9 39 1 44 12 40 1 45 14 41 1 46 22 42 1 47 23 43 1 48 23 44 1 49 24 45 1 50 25 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 27 50 1 55 27 51 1 56 27 52 1 57 28 53 1 58 28 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 30 58 1 63 30 59 1 64 31 60 1 65 31 61 1 @SUBSTRUCTURE 1 noname 1