@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442677 38 41 1 SMALL USER_CHARGES @ATOM 1 O1 6.4029 -25.5232 -6.4029 O.2 1 noname -0.2541 2 C1 5.6219 -25.8911 -5.4999 C.2 1 noname 0.1218 3 N1 5.5629 -27.1321 -4.9799 N.3 1 noname -0.1185 4 N2 4.7079 -25.1081 -4.8958 N.3 1 noname -0.1180 5 C2 4.6088 -27.1350 -4.0418 C.2 1 noname 0.0107 6 C3 4.0678 -25.8560 -3.9898 C.2 1 noname 0.0142 7 C4 4.1438 -28.1560 -3.2008 C.2 1 noname -0.0026 8 C5 3.0378 -25.5440 -3.0958 C.2 1 noname -0.0207 9 C6 3.0988 -27.8789 -2.2798 C.2 1 noname -0.0284 10 C7 2.5618 -26.5620 -2.2457 C.2 1 noname -0.0281 11 C8 2.6117 -28.8999 -1.4138 C.2 1 noname 0.0582 12 C9 1.4727 -28.9168 -0.6118 C.2 1 noname 0.0145 13 C10 3.1797 -30.1508 -1.1618 C.2 1 noname 0.0437 14 N3 0.5007 -27.9918 -0.4297 N.2 1 noname -0.2395 15 N4 1.4227 -30.0968 0.0382 N.3 1 noname -0.0883 16 N5 2.4327 -30.8397 -0.2798 N.2 1 noname -0.3036 17 C11 -0.5343 -28.2408 0.4162 C.2 1 noname 0.0624 18 C12 0.4196 -30.4057 0.8952 C.2 1 noname -0.0462 19 N6 -1.5033 -27.3217 0.6022 N.3 1 noname -0.1010 20 C13 -0.6023 -29.4647 1.1092 C.2 1 noname -0.0224 21 C14 -1.5193 -26.0697 -0.0666 C.3 1 noname 0.0137 22 C15 -2.7373 -25.2517 0.3823 C.3 1 noname 0.0054 23 N7 -3.9773 -25.9816 0.1053 N.3 1 noname -0.3291 24 H1 6.1148 -27.8850 -5.2408 H 1 noname 0.1385 25 H2 4.5458 -24.1711 -5.0838 H 1 noname 0.1385 26 H3 4.5618 -29.0839 -3.2698 H 1 noname 0.0646 27 H4 2.6438 -24.6030 -3.0577 H 1 noname 0.0640 28 H5 1.8198 -26.3209 -1.5907 H 1 noname 0.0629 29 H6 4.0436 -30.5027 -1.5747 H 1 noname 0.0864 30 H7 0.4036 -31.3047 1.3763 H 1 noname 0.0815 31 H8 -2.2313 -27.5247 1.2113 H 1 noname 0.1296 32 H9 -1.3713 -29.6677 1.7473 H 1 noname 0.0670 33 H10 -0.6123 -25.5117 0.1713 H 1 noname 0.0445 34 H11 -1.5694 -26.2267 -1.1456 H 1 noname 0.0445 35 H12 -2.6693 -25.0516 1.4523 H 1 noname 0.0438 36 H13 -2.7513 -24.3046 -0.1566 H 1 noname 0.0438 37 H14 -4.7504 -25.3566 0.3444 H 1 noname 0.1184 38 H15 -4.0154 -26.1286 -0.9045 H 1 noname 0.1184 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 24 1 6 4 6 1 7 4 25 1 8 5 7 1 9 5 6 2 10 6 8 1 11 7 9 2 12 7 26 1 13 8 10 2 14 8 27 1 15 9 11 1 16 9 10 1 17 10 28 1 18 11 12 2 19 11 13 1 20 12 14 1 21 12 15 1 22 13 16 2 23 13 29 1 24 14 17 2 25 15 18 1 26 15 16 1 27 17 19 1 28 17 20 1 29 18 20 2 30 18 30 1 31 19 21 1 32 19 31 1 33 20 32 1 34 21 22 1 35 21 33 1 36 21 34 1 37 22 23 1 38 22 35 1 39 22 36 1 40 23 37 1 41 23 38 1 @SUBSTRUCTURE 1 noname 1