@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441366 38 42 1 SMALL USER_CHARGES @ATOM 1 S1 12.4000 -3.7972 4.5933 S.3 1 noname -0.1863 2 C1 10.9479 -3.6222 3.6623 C.2 1 noname 0.0879 3 C2 12.1979 -2.1401 5.0394 C.2 1 noname 0.0472 4 N1 10.3868 -2.4011 3.7224 N.2 1 noname -0.2030 5 C3 10.4288 -4.6932 2.9164 C.2 1 noname -0.0050 6 C4 11.0668 -1.5391 4.4944 C.2 1 noname 0.0520 7 C5 9.3027 -4.7371 2.0924 C.2 1 noname -0.0184 8 C6 10.9788 -5.9751 2.8654 C.2 1 noname -0.0714 9 C7 10.6768 -0.1980 4.7135 C.2 1 noname -0.0044 10 C8 9.2137 -6.0341 1.5854 C.2 1 noname -0.0802 11 C9 8.3516 -3.7640 1.7334 C.2 1 noname -0.0355 12 N2 10.2337 -6.7571 2.0654 N.3 1 noname -0.0463 13 C10 9.5087 0.4430 4.3026 C.2 1 noname 0.0003 14 C11 11.4018 0.7840 5.3986 C.2 1 noname -0.0810 15 C12 8.1796 -6.4110 0.7144 C.2 1 noname -0.0431 16 C13 7.3075 -4.1280 0.8604 C.2 1 noname -0.0533 17 C14 9.5727 1.7641 4.7416 C.2 1 noname 0.0636 18 C15 8.3776 0.0060 3.5906 C.2 1 noname -0.0273 19 N3 10.7267 1.9501 5.4026 N.3 1 noname -0.0205 20 C16 7.2205 -5.4430 0.3544 C.2 1 noname -0.0510 21 N4 8.5666 2.6392 4.4887 N.2 1 noname -0.2532 22 C17 7.3415 0.9241 3.3346 C.2 1 noname -0.0538 23 C18 11.1767 3.1542 6.0077 C.3 1 noname -0.0581 24 C19 7.4615 2.2503 3.7987 C.2 1 noname -0.0049 25 H1 12.8529 -1.6581 5.6564 H 1 noname 0.0763 26 H2 11.8178 -6.2801 3.3605 H 1 noname 0.0796 27 H3 8.4126 -2.8129 2.0905 H 1 noname 0.0629 28 H4 10.4067 -7.6911 1.8684 H 1 noname 0.1522 29 H5 12.3157 0.6451 5.8317 H 1 noname 0.0799 30 H6 8.1236 -7.3620 0.3494 H 1 noname 0.0642 31 H7 6.6095 -3.4349 0.5895 H 1 noname 0.0622 32 H8 8.3006 -0.9558 3.2686 H 1 noname 0.0630 33 H9 6.4604 -5.6939 -0.2774 H 1 noname 0.0623 34 H10 6.5115 0.6322 2.8187 H 1 noname 0.0639 35 H11 10.4506 3.9563 5.8668 H 1 noname 0.0436 36 H12 11.3216 2.9953 7.0768 H 1 noname 0.0436 37 H13 12.1247 3.4573 5.5587 H 1 noname 0.0436 38 H14 6.7144 2.9214 3.6177 H 1 noname 0.0839 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 25 1 7 4 6 1 8 5 7 1 9 5 8 2 10 6 9 1 11 7 10 2 12 7 11 1 13 8 12 1 14 8 26 1 15 9 13 1 16 9 14 2 17 10 15 1 18 10 12 1 19 11 16 2 20 11 27 1 21 12 28 1 22 13 17 2 23 13 18 1 24 14 19 1 25 14 29 1 26 15 20 2 27 15 30 1 28 16 20 1 29 16 31 1 30 17 21 1 31 17 19 1 32 18 22 2 33 18 32 1 34 19 23 1 35 20 33 1 36 21 24 2 37 22 24 1 38 22 34 1 39 23 35 1 40 23 36 1 41 23 37 1 42 24 38 1 @SUBSTRUCTURE 1 noname 1