@MOLECULE 76968924 41 43 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7011 -0.9204 -1.6339 O.3 1 noname -0.3786 2 N1 -2.7264 -1.9753 -0.0614 N.3 1 noname -0.3105 3 C1 -1.5604 -1.2786 0.5621 C.3 1 noname 0.0443 4 C2 -0.3881 -1.5675 -0.4093 C.3 1 noname 0.1299 5 C3 -1.7801 0.2381 0.9468 C.3 1 noname -0.0342 6 C4 -3.2662 0.6208 1.0533 C.3 1 noname -0.0505 7 C5 -4.1099 0.1519 -0.1770 C.3 1 noname -0.0406 8 C6 -3.6654 -1.1593 -0.8838 C.3 1 noname -0.0044 9 C7 0.9017 -1.0006 -0.0132 C.2 1 noname -0.0385 10 C8 -0.2506 -3.0096 -0.5909 C.2 1 noname -0.0385 11 C9 -0.3813 -3.5661 -1.8579 C.2 1 noname -0.0465 12 C10 1.7295 -1.7155 0.9148 C.2 1 noname -0.0465 13 C11 0.0109 -3.8261 0.5032 C.2 1 noname -0.0465 14 C12 1.2386 0.3120 -0.4884 C.2 1 noname -0.0465 15 C13 -0.2504 -4.9391 -2.0309 C.2 1 noname -0.0577 16 C14 2.8909 -1.0619 1.4402 C.2 1 noname -0.0577 17 C15 0.1417 -5.1991 0.3302 C.2 1 noname -0.0577 18 C16 2.3965 0.9559 0.0442 C.2 1 noname -0.0577 19 C17 3.1910 0.2605 1.0064 C.2 1 noname -0.0609 20 C18 0.0111 -5.7556 -0.9368 C.2 1 noname -0.0609 21 H1 -1.3288 -1.7766 1.5015 H 1 noname 0.0502 22 H2 -1.2931 0.8745 0.2079 H 1 noname 0.0284 23 H3 -1.2687 0.4636 1.8826 H 1 noname 0.0284 24 H4 -3.6863 0.1960 1.9650 H 1 noname 0.0267 25 H5 -3.3647 1.6985 1.1832 H 1 noname 0.0267 26 H6 -3.2508 -2.4742 0.6601 H 1 noname 0.1226 27 H7 -5.1583 0.0723 0.1104 H 1 noname 0.0279 28 H8 -4.0489 0.9236 -0.9444 H 1 noname 0.0279 29 H9 -4.5443 -1.7551 -1.1303 H 1 noname 0.0428 30 H10 -3.1062 -0.8285 -1.7590 H 1 noname 0.0428 31 H11 0.0185 -1.0785 -2.2801 H 1 noname 0.2119 32 H12 -0.5731 -2.9669 -2.6608 H 1 noname 0.0626 33 H13 1.4963 -2.6683 1.1945 H 1 noname 0.0626 34 H14 0.1067 -3.4178 1.4329 H 1 noname 0.0626 35 H15 0.6628 0.7747 -1.1918 H 1 noname 0.0626 36 H16 -0.3463 -5.3474 -2.9606 H 1 noname 0.0622 37 H17 3.4927 -1.5359 2.1136 H 1 noname 0.0622 38 H18 0.3336 -5.7983 1.1331 H 1 noname 0.0622 39 H19 2.6519 1.8963 -0.2572 H 1 noname 0.0622 40 H20 4.0068 0.7306 1.3988 H 1 noname 0.0622 41 H21 0.1071 -6.7631 -1.0637 H 1 noname 0.0622 @BOND 1 1 4 1 2 1 31 1 3 2 3 1 4 2 8 1 5 2 26 1 6 3 4 1 7 3 5 1 8 3 21 1 9 4 9 1 10 4 10 1 11 5 6 1 12 5 22 1 13 5 23 1 14 6 7 1 15 6 24 1 16 6 25 1 17 7 8 1 18 7 27 1 19 7 28 1 20 8 29 1 21 8 30 1 22 9 12 2 23 9 14 1 24 10 11 2 25 10 13 1 26 11 15 1 27 11 32 1 28 12 16 1 29 12 33 1 30 13 17 2 31 13 34 1 32 14 18 2 33 14 35 1 34 15 20 2 35 15 36 1 36 16 19 2 37 16 37 1 38 17 20 1 39 17 38 1 40 18 19 1 41 18 39 1 42 19 40 1 43 20 41 1 @SUBSTRUCTURE 1 noname 1