@MOLECULE 92135770 62 61 1 SMALL USER_CHARGES @ATOM 1 O1 -3.2873 3.4107 -0.4154 O.2 1 noname -0.2969 2 N1 -1.2990 3.3165 0.6196 N.3 1 noname -0.0804 3 N2 2.2134 6.2445 -0.9770 N.3 1 noname -0.3092 4 C1 1.6207 -3.5061 0.9609 C.3 1 noname -0.0533 5 C2 1.6460 -5.0149 0.7083 C.3 1 noname -0.0533 6 C3 0.3331 -2.9140 0.3843 C.3 1 noname -0.0533 7 C4 2.9336 -5.6069 1.2849 C.3 1 noname -0.0533 8 C5 0.3077 -1.4052 0.6369 C.3 1 noname -0.0533 9 C6 2.9590 -7.1157 1.0323 C.3 1 noname -0.0533 10 C7 -0.9799 -0.8132 0.0603 C.3 1 noname -0.0528 11 C8 4.2465 -7.7078 1.6089 C.3 1 noname -0.0533 12 C9 -1.0052 0.6956 0.3129 C.3 1 noname -0.0450 13 C10 4.2719 -9.2166 1.3563 C.3 1 noname -0.0535 14 C11 -2.2928 1.2877 -0.2637 C.3 1 noname 0.0212 15 C12 5.5595 -9.8087 1.9329 C.3 1 noname -0.0561 16 C13 -2.3170 2.7275 -0.0227 C.2 1 noname 0.0372 17 C14 5.5848 -11.3175 1.6803 C.3 1 noname -0.0654 18 C15 -0.9655 4.6562 0.3331 C.3 1 noname 0.0039 19 C16 0.4750 4.7250 -0.1779 C.3 1 noname -0.0273 20 C17 0.8369 6.1787 -0.4887 C.3 1 noname -0.0012 21 C18 2.5593 7.6336 -1.2740 C.3 1 noname -0.0136 22 C19 2.3385 5.4408 -2.1919 C.3 1 noname -0.0136 23 H1 1.6592 -3.3166 2.0336 H 1 noname 0.0266 24 H2 2.4814 -3.0425 0.4789 H 1 noname 0.0266 25 H3 0.7853 -5.4785 1.1903 H 1 noname 0.0266 26 H4 1.6075 -5.2044 -0.3644 H 1 noname 0.0266 27 H5 -0.5277 -3.3776 0.8663 H 1 noname 0.0266 28 H6 0.2946 -3.1035 -0.6884 H 1 noname 0.0266 29 H7 2.9721 -5.4174 2.3576 H 1 noname 0.0266 30 H8 3.7943 -5.1434 0.8029 H 1 noname 0.0266 31 H9 0.3462 -1.2157 1.7096 H 1 noname 0.0266 32 H10 1.1685 -0.9416 0.1549 H 1 noname 0.0266 33 H11 2.0982 -7.5793 1.5143 H 1 noname 0.0266 34 H12 2.9205 -7.3052 -0.0404 H 1 noname 0.0266 35 H13 -1.8406 -1.2768 0.5423 H 1 noname 0.0267 36 H14 -1.0184 -1.0027 -1.0124 H 1 noname 0.0267 37 H15 4.2850 -7.5183 2.6816 H 1 noname 0.0266 38 H16 5.1073 -7.2442 1.1270 H 1 noname 0.0266 39 H17 -0.9667 0.8851 1.3856 H 1 noname 0.0271 40 H18 -0.1445 1.1592 -0.1691 H 1 noname 0.0271 41 H19 3.4111 -9.6802 1.8383 H 1 noname 0.0266 42 H20 4.2334 -9.4061 0.2836 H 1 noname 0.0266 43 H21 -3.1536 0.8241 0.2183 H 1 noname 0.0361 44 H22 -2.3313 1.0982 -1.3364 H 1 noname 0.0361 45 H23 5.5980 -9.6192 3.0057 H 1 noname 0.0264 46 H24 6.4202 -9.3451 1.4510 H 1 noname 0.0264 47 H25 6.5021 -11.7393 2.0911 H 1 noname 0.0230 48 H26 4.7241 -11.7810 2.1623 H 1 noname 0.0230 49 H27 5.5463 -11.5070 0.6076 H 1 noname 0.0230 50 H28 -1.6406 5.0435 -0.4299 H 1 noname 0.0433 51 H29 -1.0587 5.2554 1.2389 H 1 noname 0.0433 52 H30 0.5682 4.1258 -1.0836 H 1 noname 0.0293 53 H31 1.1501 4.3377 0.5851 H 1 noname 0.0293 54 H32 -0.7916 2.8212 1.2815 H 1 noname 0.1309 55 H33 0.1618 6.5661 -1.2517 H 1 noname 0.0430 56 H34 0.7437 6.7780 0.4170 H 1 noname 0.0430 57 H35 3.3647 5.4898 -2.5559 H 1 noname 0.0394 58 H36 3.5855 7.6827 -1.6381 H 1 noname 0.0394 59 H37 1.6633 5.8281 -2.9549 H 1 noname 0.0394 60 H38 2.0806 4.4051 -1.9704 H 1 noname 0.0394 61 H39 1.8841 8.0210 -2.0371 H 1 noname 0.0394 62 H40 2.4660 8.2329 -0.3683 H 1 noname 0.0394 @BOND 1 1 16 2 2 2 16 1 3 2 18 1 4 2 54 1 5 3 20 1 6 3 21 1 7 3 22 1 8 4 5 1 9 4 6 1 10 4 23 1 11 4 24 1 12 5 7 1 13 5 25 1 14 5 26 1 15 6 8 1 16 6 27 1 17 6 28 1 18 7 9 1 19 7 29 1 20 7 30 1 21 8 10 1 22 8 31 1 23 8 32 1 24 9 11 1 25 9 33 1 26 9 34 1 27 10 12 1 28 10 35 1 29 10 36 1 30 11 13 1 31 11 37 1 32 11 38 1 33 12 14 1 34 12 39 1 35 12 40 1 36 13 15 1 37 13 41 1 38 13 42 1 39 14 16 1 40 14 43 1 41 14 44 1 42 15 17 1 43 15 45 1 44 15 46 1 45 17 47 1 46 17 48 1 47 17 49 1 48 18 19 1 49 18 50 1 50 18 51 1 51 19 20 1 52 19 52 1 53 19 53 1 54 20 55 1 55 20 56 1 56 21 58 1 57 21 61 1 58 21 62 1 59 22 57 1 60 22 59 1 61 22 60 1 @SUBSTRUCTURE 1 noname 1