@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442687 43 46 1 SMALL USER_CHARGES @ATOM 1 N1 4.3039 -22.0944 -0.4385 N.2 1 noname -0.2397 2 C1 3.2649 -22.3404 0.4034 C.2 1 noname 0.0624 3 C2 5.2798 -23.0174 -0.6085 C.2 1 noname 0.0144 4 N2 2.2908 -21.4234 0.5774 N.3 1 noname -0.1019 5 C3 3.1969 -23.5603 1.1044 C.2 1 noname -0.0225 6 N3 5.2297 -24.1923 0.0494 N.3 1 noname -0.0883 7 C4 6.4247 -23.0003 -1.4034 C.2 1 noname 0.0582 8 C5 2.2838 -20.1744 -0.0944 C.3 1 noname 0.0026 9 C6 4.2228 -24.4983 0.9025 C.2 1 noname -0.0462 10 N4 6.2447 -24.9332 -0.2564 N.2 1 noname -0.3036 11 C7 6.9116 -21.9853 -2.2753 C.2 1 noname -0.0306 12 C8 6.9946 -24.2482 -1.1384 C.2 1 noname 0.0437 13 C9 1.0438 -19.3733 0.3235 C.3 1 noname -0.0278 14 C10 7.9626 -22.2552 -3.1843 C.2 1 noname -0.0218 15 C11 6.3706 -20.6783 -2.2633 C.2 1 noname -0.0308 16 C12 1.0078 -18.0233 -0.4053 C.3 1 noname -0.0064 17 C13 8.4565 -21.2632 -4.0572 C.2 1 noname -0.0341 18 C14 6.8516 -19.6793 -3.1252 C.2 1 noname -0.0400 19 N5 -0.1722 -17.2673 0.0166 N.3 1 noname -0.3304 20 C15 7.8935 -19.9602 -4.0272 C.2 1 noname -0.0307 21 C16 9.5014 -21.5492 -4.9601 C.2 1 noname -0.0467 22 C17 8.3854 -18.9662 -4.8981 C.2 1 noname -0.0462 23 C18 9.9844 -20.5521 -5.8231 C.2 1 noname -0.0569 24 C19 9.4274 -19.2632 -5.7920 C.2 1 noname -0.0569 25 H1 1.5648 -21.6263 1.1874 H 1 noname 0.1296 26 H2 2.4248 -23.7623 1.7395 H 1 noname 0.0670 27 H3 3.1817 -19.6103 0.1645 H 1 noname 0.0432 28 H4 2.2597 -20.3373 -1.1734 H 1 noname 0.0432 29 H5 4.2077 -25.3952 1.3895 H 1 noname 0.0815 30 H6 7.8626 -24.6002 -1.5433 H 1 noname 0.0864 31 H7 0.1458 -19.9403 0.0756 H 1 noname 0.0292 32 H8 1.0718 -19.1983 1.4005 H 1 noname 0.0292 33 H9 8.3755 -23.1892 -3.2232 H 1 noname 0.0635 34 H10 5.6216 -20.4303 -1.6193 H 1 noname 0.0629 35 H11 1.9047 -17.4513 -0.1633 H 1 noname 0.0426 36 H12 0.9637 -18.1883 -1.4823 H 1 noname 0.0426 37 H13 6.4365 -18.7462 -3.0872 H 1 noname 0.0629 38 H14 -0.1762 -16.3993 -0.5232 H 1 noname 0.1184 39 H15 -0.9902 -17.8032 -0.2802 H 1 noname 0.1184 40 H16 9.9164 -22.4821 -4.9941 H 1 noname 0.0629 41 H17 7.9894 -18.0242 -4.8871 H 1 noname 0.0629 42 H18 10.7403 -20.7641 -6.4740 H 1 noname 0.0622 43 H19 9.7803 -18.5401 -6.4210 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 2 7 4 8 1 8 4 25 1 9 5 9 2 10 5 26 1 11 6 10 1 12 6 9 1 13 7 11 1 14 7 12 1 15 8 13 1 16 8 27 1 17 8 28 1 18 9 29 1 19 10 12 2 20 11 14 2 21 11 15 1 22 12 30 1 23 13 16 1 24 13 31 1 25 13 32 1 26 14 17 1 27 14 33 1 28 15 18 2 29 15 34 1 30 16 19 1 31 16 35 1 32 16 36 1 33 17 20 1 34 17 21 2 35 18 20 1 36 18 37 1 37 19 38 1 38 19 39 1 39 20 22 2 40 21 23 1 41 21 40 1 42 22 24 1 43 22 41 1 44 23 24 2 45 23 42 1 46 24 43 1 @SUBSTRUCTURE 1 noname 1