@MOLECULE 71586817 44 46 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2280 -1.9741 0.9558 O.3 1 noname -0.3653 2 N1 0.9982 -5.8176 1.5745 N.3 1 noname -0.3061 3 C1 0.1630 -3.2164 0.3088 C.3 1 noname 0.0613 4 C2 1.6739 -3.5145 0.5441 C.3 1 noname -0.0138 5 C3 -0.8504 -4.3878 0.5406 C.3 1 noname -0.0138 6 C4 2.0280 -4.9969 0.8578 C.3 1 noname 0.0004 7 C5 -0.4077 -5.3161 1.6912 C.3 1 noname 0.0004 8 C6 -1.4173 -1.4025 0.3061 C.3 1 noname 0.1080 9 C7 1.4987 -6.1782 2.9000 C.3 1 noname -0.0133 10 C8 -1.2722 -1.2309 -1.1798 C.2 1 noname -0.0404 11 C9 -1.9606 -0.2296 1.0677 C.2 1 noname -0.0404 12 C10 -2.2028 -0.3818 2.4798 C.2 1 noname -0.0477 13 C11 -0.0498 -0.6893 -1.7227 C.2 1 noname -0.0477 14 C12 -2.2675 1.0266 0.4213 C.2 1 noname -0.0477 15 C13 -2.3792 -1.5825 -2.0289 C.2 1 noname -0.0477 16 C14 -2.6971 0.7212 3.2507 C.2 1 noname -0.0580 17 C15 0.0469 -0.4547 -3.1237 C.2 1 noname -0.0580 18 C16 -2.7652 2.1321 1.1681 C.2 1 noname -0.0580 19 C17 -2.2843 -1.3420 -3.4355 C.2 1 noname -0.0580 20 C18 -2.9563 1.9564 2.5737 C.2 1 noname -0.0610 21 C19 -1.0756 -0.7745 -3.9518 C.2 1 noname -0.0610 22 H1 0.0261 -3.0287 -0.7562 H 1 noname 0.0604 23 H2 2.0506 -2.8743 1.3418 H 1 noname 0.0306 24 H3 2.2388 -3.1929 -0.3308 H 1 noname 0.0306 25 H4 -1.8353 -3.9774 0.7633 H 1 noname 0.0306 26 H5 -0.8530 -4.9891 -0.3685 H 1 noname 0.0306 27 H6 2.3202 -5.5032 -0.0622 H 1 noname 0.0431 28 H7 2.9314 -4.9798 1.4674 H 1 noname 0.0431 29 H8 -1.0911 -6.1626 1.7585 H 1 noname 0.0431 30 H9 -0.4480 -4.7402 2.6158 H 1 noname 0.0431 31 H10 -2.1911 -2.1581 0.4419 H 1 noname 0.0707 32 H11 0.7500 -6.7749 3.4211 H 1 noname 0.0394 33 H12 1.7023 -5.2719 3.4704 H 1 noname 0.0394 34 H13 2.4168 -6.7566 2.7968 H 1 noname 0.0394 35 H14 -2.0220 -1.2777 2.9327 H 1 noname 0.0626 36 H15 0.7368 -0.4767 -1.1091 H 1 noname 0.0626 37 H16 -2.1255 1.1224 -0.5842 H 1 noname 0.0626 38 H17 -3.2219 -1.9985 -1.6323 H 1 noname 0.0626 39 H18 -2.8596 0.6289 4.2534 H 1 noname 0.0622 40 H19 0.8988 -0.0666 -3.5289 H 1 noname 0.0622 41 H20 -2.9784 3.0206 0.7147 H 1 noname 0.0622 42 H21 -3.0604 -1.5696 -4.0569 H 1 noname 0.0622 43 H22 -3.2933 2.7486 3.1207 H 1 noname 0.0622 44 H23 -1.0117 -0.5903 -4.9530 H 1 noname 0.0622 @BOND 1 1 3 1 2 1 8 1 3 2 6 1 4 2 7 1 5 2 9 1 6 3 4 1 7 3 5 1 8 3 22 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 27 1 16 6 28 1 17 7 29 1 18 7 30 1 19 8 10 1 20 8 11 1 21 8 31 1 22 9 32 1 23 9 33 1 24 9 34 1 25 10 13 2 26 10 15 1 27 11 12 2 28 11 14 1 29 12 16 1 30 12 35 1 31 13 17 1 32 13 36 1 33 14 18 2 34 14 37 1 35 15 19 2 36 15 38 1 37 16 20 2 38 16 39 1 39 17 21 2 40 17 40 1 41 18 20 1 42 18 41 1 43 19 21 1 44 19 42 1 45 20 43 1 46 21 44 1 @SUBSTRUCTURE 1 noname 1