@MOLECULE DB07564 43 46 1 SMALL USER_CHARGES @ATOM 1 O1 -7.8545 -4.5581 -4.6462 O.2 1 noname -0.2875 2 C1 -8.6221 -4.8854 -3.7155 C.2 1 noname 0.0566 3 N1 -9.7864 -5.5501 -3.9793 N.3 1 noname 0.0411 4 C2 -8.2998 -4.5751 -2.3848 C.2 1 noname 0.0458 5 C3 -10.6684 -5.9541 -3.0159 C.2 1 noname -0.0863 6 C4 -9.2350 -5.0250 -1.3649 C.2 1 noname 0.0505 7 C5 -7.1483 -3.8132 -2.0897 C.2 1 noname 0.0410 8 N2 -10.3730 -5.6893 -1.7099 N.2 1 noname -0.2208 9 N3 -11.7975 -6.5957 -3.3464 N.3 1 noname -0.1247 10 C6 -9.0247 -4.7516 0.0042 C.2 1 noname 0.0123 11 C7 -7.0033 -3.5187 -0.7246 C.2 1 noname 0.0154 12 C8 -7.8845 -3.9696 0.2785 C.2 1 noname -0.0718 13 N4 -6.0725 -2.7555 -0.1586 N.2 1 noname -0.2414 14 N5 -7.4763 -3.4822 1.4470 N.3 1 noname -0.0404 15 C9 -6.3916 -2.7301 1.1459 C.2 1 noname -0.0119 16 N6 -5.7563 -1.9207 2.0032 N.3 1 noname -0.0946 17 C10 -6.5478 -0.8351 2.3994 C.3 1 noname 0.0154 18 C11 -5.9774 -0.0242 3.5640 C.3 1 noname 0.0114 19 N7 -7.0783 0.7477 4.1958 N.3 1 noname -0.2974 20 C12 -6.4512 1.8728 4.9568 C.3 1 noname 0.0219 21 C13 -8.1199 -0.0866 4.9026 C.3 1 noname 0.0219 22 C14 -7.1274 2.2285 6.3292 C.3 1 noname 0.0595 23 C15 -7.9030 -0.2138 6.4362 C.3 1 noname 0.0595 24 O2 -7.6850 1.0939 7.0687 O.3 1 noname -0.3786 25 H1 -10.0081 -5.7548 -4.9432 H 1 noname 0.1400 26 H2 -6.4367 -3.4828 -2.8463 H 1 noname 0.0654 27 H3 -12.6551 -6.0769 -3.4710 H 1 noname 0.1268 28 H4 -11.7909 -7.5979 -3.4710 H 1 noname 0.1268 29 H5 -9.6899 -5.1154 0.7873 H 1 noname 0.0666 30 H6 -7.8931 -3.6454 2.3525 H 1 noname 0.1553 31 H7 -4.8111 -2.1036 2.3087 H 1 noname 0.1309 32 H8 -6.5584 -0.1848 1.5247 H 1 noname 0.0446 33 H9 -7.4721 -1.2968 2.7465 H 1 noname 0.0446 34 H10 -5.6279 -0.7330 4.3146 H 1 noname 0.0444 35 H11 -5.2886 0.7090 3.1443 H 1 noname 0.0444 36 H12 -5.4481 1.5165 5.1914 H 1 noname 0.0454 37 H13 -6.5839 2.7430 4.3139 H 1 noname 0.0454 38 H14 -9.0569 0.4541 4.7699 H 1 noname 0.0454 39 H15 -8.0073 -1.0906 4.4934 H 1 noname 0.0454 40 H16 -6.3402 2.6083 6.9804 H 1 noname 0.0579 41 H17 -7.9943 2.8493 6.1029 H 1 noname 0.0579 42 H18 -8.8329 -0.5875 6.8648 H 1 noname 0.0579 43 H19 -6.9738 -0.7632 6.5873 H 1 noname 0.0579 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 1 10 6 8 1 11 7 11 2 12 10 12 2 13 11 13 1 14 11 12 1 15 12 14 1 16 13 15 2 17 14 15 1 18 15 16 1 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 19 21 1 24 20 22 1 25 21 23 1 26 22 24 1 27 23 24 1 28 3 25 1 29 7 26 1 30 9 27 1 31 9 28 1 32 10 29 1 33 14 30 1 34 16 31 1 35 17 32 1 36 17 33 1 37 18 34 1 38 18 35 1 39 20 36 1 40 20 37 1 41 21 38 1 42 21 39 1 43 22 40 1 44 22 41 1 45 23 42 1 46 23 43 1 @SUBSTRUCTURE 1 noname 1