@MOLECULE 178437 70 74 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3561 2.2724 -7.5936 F 1 noname -0.1578 2 C1 0.8620 1.9670 -7.2535 C.2 1 noname 0.0558 3 C2 1.6643 1.2376 -8.1232 C.2 1 noname 0.0423 4 C3 1.3611 2.3701 -6.0204 C.2 1 noname 0.0299 5 N1 1.1831 0.8490 -9.3120 N.3 1 noname -0.0974 6 C4 2.9657 0.9113 -7.7598 C.2 1 noname -0.0096 7 C5 2.6624 2.0438 -5.6570 C.2 1 noname -0.0125 8 C6 2.0111 0.7076 -10.3561 C.2 1 noname 0.1310 9 C7 3.4647 1.3144 -6.5267 C.2 1 noname -0.0238 10 C8 3.1615 2.4469 -4.4239 C.2 1 noname 0.0740 11 O1 1.5622 0.3451 -11.4650 O.2 1 noname -0.2322 12 O2 3.3299 0.9567 -10.2104 O.3 1 noname -0.1864 13 N2 2.3510 2.5995 -3.3474 N.2 1 noname -0.2346 14 C9 4.5192 2.7125 -4.2385 C.2 1 noname 0.0430 15 C10 4.2072 0.8068 -11.3168 C.3 1 noname 0.0809 16 C11 2.7753 2.9938 -2.1090 C.2 1 noname 0.1041 17 C12 5.3550 2.5545 -5.4391 C.2 1 noname 0.0384 18 C13 5.0140 3.0723 -2.9615 C.2 1 noname 0.1077 19 C14 5.6349 1.1482 -10.8855 C.3 1 noname 0.0673 20 N3 4.1183 3.1969 -1.9283 N.2 1 noname -0.2059 21 N4 1.8225 3.1810 -1.1101 N.3 1 noname -0.0527 22 O3 5.3946 1.5182 -6.1370 O.2 1 noname -0.2883 23 N5 6.1374 3.7678 -5.7151 N.3 1 noname -0.0608 24 O4 6.3688 3.2316 -2.6507 O.3 1 noname -0.2253 25 O5 6.5122 0.9983 -11.9920 O.3 1 noname -0.3938 26 C15 0.5260 3.7549 -1.4959 C.3 1 noname 0.0325 27 C16 2.1134 2.7631 0.2697 C.3 1 noname 0.0325 28 C17 7.4018 3.5807 -5.0015 C.3 1 noname 0.0353 29 C18 5.7526 4.8747 -6.4992 C.3 1 noname 0.0034 30 C19 7.2567 4.0092 -3.5071 C.3 1 noname 0.0843 31 C20 -0.2944 4.3131 -0.2720 C.3 1 noname 0.0713 32 C21 1.1326 3.4335 1.3136 C.3 1 noname 0.0713 33 C22 6.1792 4.6447 -7.9504 C.3 1 noname -0.0519 34 C23 8.6423 4.0923 -2.8636 C.3 1 noname -0.0342 35 C24 6.6171 5.3979 -3.5650 C.3 1 noname -0.0342 36 O6 0.6406 4.6835 0.7681 O.3 1 noname -0.3721 37 C25 -1.1385 3.2384 0.4369 C.3 1 noname -0.0229 38 C26 -0.1858 2.6579 1.5039 C.3 1 noname -0.0229 39 H1 0.7319 2.9420 -5.3384 H 1 noname 0.0660 40 H2 0.1965 0.6627 -9.4210 H 1 noname 0.1397 41 H3 3.5948 0.3393 -8.4418 H 1 noname 0.0640 42 H4 4.4852 1.0585 -6.2418 H 1 noname 0.0630 43 H5 4.1756 -0.2525 -11.5716 H 1 noname 0.0597 44 H6 3.8871 1.5522 -12.0448 H 1 noname 0.0597 45 H7 5.6665 2.2075 -10.6307 H 1 noname 0.0587 46 H8 5.9550 0.4027 -10.1575 H 1 noname 0.0587 47 H9 6.6506 0.0645 -12.1665 H 1 noname 0.2101 48 H10 0.7786 4.6043 -2.1307 H 1 noname 0.0462 49 H11 -0.0356 2.9158 -1.9064 H 1 noname 0.0462 50 H12 1.9231 1.6900 0.2829 H 1 noname 0.0462 51 H13 3.1156 3.1415 0.4710 H 1 noname 0.0462 52 H14 7.5889 2.5070 -5.0211 H 1 noname 0.0465 53 H15 8.1054 4.2653 -5.4752 H 1 noname 0.0465 54 H16 4.6633 4.8889 -6.4634 H 1 noname 0.0433 55 H17 6.3218 5.7177 -6.1073 H 1 noname 0.0433 56 H18 -0.8988 5.1506 -0.6203 H 1 noname 0.0616 57 H19 1.6845 3.5640 2.2444 H 1 noname 0.0616 58 H20 6.2369 3.5741 -8.1468 H 1 noname 0.0243 59 H21 5.4484 5.0980 -8.6201 H 1 noname 0.0243 60 H22 7.1561 5.0980 -8.1182 H 1 noname 0.0243 61 H23 8.5398 4.0862 -1.7784 H 1 noname 0.0260 62 H24 9.2404 3.2366 -3.1769 H 1 noname 0.0260 63 H25 9.1338 5.0134 -3.1769 H 1 noname 0.0260 64 H26 6.4489 5.7630 -2.5519 H 1 noname 0.0260 65 H27 7.2817 6.0823 -4.0922 H 1 noname 0.0260 66 H28 5.6650 5.3377 -4.0922 H 1 noname 0.0260 67 H29 -1.9555 3.7417 0.9538 H 1 noname 0.0294 68 H30 -1.3535 2.4512 -0.2857 H 1 noname 0.0294 69 H31 0.0025 1.6146 1.2505 H 1 noname 0.0294 70 H32 -0.5857 2.9171 2.4842 H 1 noname 0.0294 @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 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 2 23 17 23 1 24 18 24 1 25 18 20 1 26 19 25 1 27 21 26 1 28 21 27 1 29 23 28 1 30 23 29 1 31 24 30 1 32 26 31 1 33 27 32 1 34 28 30 1 35 29 33 1 36 30 34 1 37 30 35 1 38 31 36 1 39 31 37 1 40 32 38 1 41 32 36 1 42 37 38 1 43 4 39 1 44 5 40 1 45 6 41 1 46 9 42 1 47 15 43 1 48 15 44 1 49 19 45 1 50 19 46 1 51 25 47 1 52 26 48 1 53 26 49 1 54 27 50 1 55 27 51 1 56 28 52 1 57 28 53 1 58 29 54 1 59 29 55 1 60 31 56 1 61 32 57 1 62 33 58 1 63 33 59 1 64 33 60 1 65 34 61 1 66 34 62 1 67 34 63 1 68 35 64 1 69 35 65 1 70 35 66 1 71 37 67 1 72 37 68 1 73 38 69 1 74 38 70 1 @SUBSTRUCTURE 1 noname 1