@MOLECULE 174489 71 75 1 SMALL USER_CHARGES @ATOM 1 F1 6.1942 3.3246 2.7804 F 1 noname -0.1625 2 C1 4.9692 2.8863 2.7767 C.2 1 noname 0.0405 3 C2 4.1695 3.1167 1.6132 C.2 1 noname 0.0124 4 C3 4.4911 2.1989 3.9358 C.2 1 noname 0.0024 5 C4 2.8256 2.6412 1.6184 C.2 1 noname -0.0079 6 C5 4.7137 3.8183 0.4542 C.3 1 noname 0.0237 7 C6 3.1478 1.7256 3.9204 C.2 1 noname -0.0158 8 C7 2.2957 1.9475 2.7697 C.2 1 noname -0.0301 9 N1 5.8651 3.0818 -0.0649 N.3 1 noname -0.3103 10 C8 0.9288 1.5345 2.7359 C.2 1 noname 0.0302 11 C9 6.4100 3.7844 -1.2254 C.3 1 noname 0.0015 12 N2 0.3194 1.2462 1.5292 N.2 1 noname -0.2035 13 C10 0.1409 1.4683 3.9330 C.2 1 noname -0.0094 14 C11 7.6150 3.0137 -1.7686 C.3 1 noname -0.0500 15 C12 6.8486 5.1903 -0.8109 C.3 1 noname -0.0500 16 C13 -0.9909 0.9105 1.3939 C.2 1 noname 0.0514 17 C14 -1.2008 1.1035 3.8513 C.2 1 noname -0.0134 18 N3 -1.5707 0.7067 0.1702 N.2 1 noname -0.2299 19 C15 -1.7656 0.8176 2.5809 C.2 1 noname -0.0109 20 C16 -2.8964 0.3820 0.0381 C.2 1 noname 0.0954 21 C17 -3.1135 0.4694 2.4013 C.2 1 noname 0.0567 22 N4 -3.6081 0.2650 1.1724 N.2 1 noname -0.2366 23 N5 -3.6160 0.1918 -1.1129 N.3 1 noname -0.0528 24 N6 -4.0175 0.4374 3.3557 N.3 1 noname -0.0852 25 C18 -3.4676 1.1303 -2.2113 C.3 1 noname 0.0380 26 C19 -4.6528 -0.8405 -1.1454 C.3 1 noname 0.0299 27 C20 -4.2543 -0.7682 4.0900 C.3 1 noname 0.0365 28 C21 -4.8396 1.5992 3.4231 C.3 1 noname 0.0284 29 C22 -4.8470 1.5829 -2.7936 C.3 1 noname 0.0625 30 C23 -2.6470 0.5447 -3.3720 C.3 1 noname -0.0468 31 C24 -6.0399 -0.2076 -1.4659 C.3 1 noname 0.0600 32 C25 -5.7682 -0.9222 4.4827 C.3 1 noname 0.0625 33 C26 -3.3960 -0.7709 5.3565 C.3 1 noname -0.0469 34 C27 -6.3005 1.1402 3.0942 C.3 1 noname 0.0599 35 O1 -6.0089 1.1435 -2.0247 O.3 1 noname -0.3783 36 O2 -6.7213 -0.1473 3.6742 O.3 1 noname -0.3783 37 H1 5.1307 2.0406 4.8041 H 1 noname 0.0653 38 H2 2.2020 2.8085 0.7403 H 1 noname 0.0634 39 H3 3.9464 3.7894 -0.3194 H 1 noname 0.0479 40 H4 5.0887 4.7763 0.8144 H 1 noname 0.0479 41 H5 2.7706 1.1916 4.7926 H 1 noname 0.0630 42 H6 6.2279 2.2209 0.3189 H 1 noname 0.1228 43 H7 5.6164 3.8330 -1.9710 H 1 noname 0.0459 44 H8 0.5644 1.6967 4.9110 H 1 noname 0.0645 45 H9 8.2085 2.6341 -0.9369 H 1 noname 0.0246 46 H10 7.2679 2.1792 -2.3780 H 1 noname 0.0246 47 H11 8.2270 3.6787 -2.3780 H 1 noname 0.0246 48 H12 6.8698 5.2584 0.2768 H 1 noname 0.0246 49 H13 7.8438 5.3921 -1.2070 H 1 noname 0.0246 50 H14 6.1446 5.9221 -1.2070 H 1 noname 0.0246 51 H15 -1.7962 1.0431 4.7623 H 1 noname 0.0632 52 H16 -2.9311 1.9434 -1.7222 H 1 noname 0.0493 53 H17 -4.3870 -1.4932 -1.9769 H 1 noname 0.0459 54 H18 -4.6974 -1.2395 -0.1320 H 1 noname 0.0459 55 H19 -3.9417 -1.5513 3.3993 H 1 noname 0.0492 56 H20 -4.8000 1.9306 4.4607 H 1 noname 0.0459 57 H21 -4.4895 2.2565 2.6272 H 1 noname 0.0459 58 H22 -4.8776 2.6706 -2.7296 H 1 noname 0.0582 59 H23 -4.9614 1.0903 -3.7592 H 1 noname 0.0582 60 H24 -2.6790 -0.5439 -3.3267 H 1 noname 0.0247 61 H25 -3.0667 0.8814 -4.3199 H 1 noname 0.0247 62 H26 -1.6133 0.8814 -3.2923 H 1 noname 0.0247 63 H27 -6.4842 -0.8123 -2.2564 H 1 noname 0.0580 64 H28 -6.5572 -0.0899 -0.5137 H 1 noname 0.0580 65 H29 -6.0387 -1.9601 4.2884 H 1 noname 0.0582 66 H30 -5.8755 -0.5097 5.4860 H 1 noname 0.0582 67 H31 -3.1932 -1.7992 5.6558 H 1 noname 0.0247 68 H32 -2.4550 -0.2577 5.1588 H 1 noname 0.0247 69 H33 -3.9285 -0.2577 6.1573 H 1 noname 0.0247 70 H34 -6.9665 1.8695 3.5553 H 1 noname 0.0580 71 H35 -6.3383 0.9717 2.0179 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 2 8 6 9 1 9 7 8 1 10 8 10 1 11 9 11 1 12 10 12 2 13 10 13 1 14 11 14 1 15 11 15 1 16 12 16 1 17 13 17 2 18 16 18 2 19 16 19 1 20 17 19 1 21 18 20 1 22 19 21 2 23 20 22 2 24 20 23 1 25 21 24 1 26 21 22 1 27 25 23 1 28 23 26 1 29 27 24 1 30 24 28 1 31 25 29 1 32 25 30 1 33 26 31 1 34 27 32 1 35 27 33 1 36 28 34 1 37 29 35 1 38 31 35 1 39 32 36 1 40 34 36 1 41 4 37 1 42 5 38 1 43 6 39 1 44 6 40 1 45 7 41 1 46 9 42 1 47 11 43 1 48 13 44 1 49 14 45 1 50 14 46 1 51 14 47 1 52 15 48 1 53 15 49 1 54 15 50 1 55 17 51 1 56 25 52 1 57 26 53 1 58 26 54 1 59 27 55 1 60 28 56 1 61 28 57 1 62 29 58 1 63 29 59 1 64 30 60 1 65 30 61 1 66 30 62 1 67 31 63 1 68 31 64 1 69 32 65 1 70 32 66 1 71 33 67 1 72 33 68 1 73 33 69 1 74 34 70 1 75 34 71 1 @SUBSTRUCTURE 1 noname 1