@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439464 40 43 1 SMALL USER_CHARGES @ATOM 1 N1 13.0083 -4.2332 2.1601 N.2 1 noname -0.2373 2 C1 11.7524 -3.8681 2.5451 C.2 1 noname 0.0456 3 C2 13.5383 -5.4720 2.3351 C.2 1 noname 0.0310 4 N2 11.3474 -2.5721 2.3061 N.3 1 noname -0.0901 5 C3 10.9834 -4.8860 3.1491 C.2 1 noname 0.0398 6 N3 12.7953 -6.4399 2.9231 N.2 1 noname -0.2184 7 C4 10.1194 -1.9901 2.7551 C.3 1 noname 0.0063 8 C5 12.1503 -1.6682 1.5342 C.3 1 noname 0.0063 9 N4 9.7334 -4.9640 3.6211 N.3 1 noname -0.0195 10 C6 11.5383 -6.1499 3.3201 C.2 1 noname 0.0920 11 C7 9.2594 -1.6281 1.5362 C.3 1 noname -0.0215 12 C8 11.3773 -1.2592 0.2683 C.3 1 noname -0.0215 13 C9 9.5394 -6.2119 4.0771 C.2 1 noname -0.0298 14 N5 10.6423 -6.9608 3.8991 N.2 1 noname -0.1921 15 C10 10.0133 -0.6331 0.6243 C.3 1 noname 0.0207 16 N6 10.2813 0.6487 1.3103 N.3 1 noname -0.3111 17 C11 9.2343 -0.3841 -0.6844 C.3 1 noname -0.0347 18 C12 9.0693 1.4387 1.5804 C.3 1 noname -0.0043 19 C13 7.9544 0.4258 -0.4344 C.3 1 noname -0.0503 20 C14 8.3053 1.7347 0.2835 C.3 1 noname -0.0406 21 H1 14.4881 -5.6720 2.0242 H 1 noname 0.1062 22 H2 10.3424 -1.0782 3.3131 H 1 noname 0.0435 23 H3 9.5454 -2.6301 3.4131 H 1 noname 0.0435 24 H4 12.3652 -0.7792 2.1292 H 1 noname 0.0435 25 H5 13.1032 -2.0961 1.2203 H 1 noname 0.0435 26 H6 9.0754 -4.2560 3.6301 H 1 noname 0.1539 27 H7 9.0434 -2.5390 0.9763 H 1 noname 0.0298 28 H8 8.3174 -1.2011 1.8762 H 1 noname 0.0298 29 H9 11.2193 -2.1481 -0.3455 H 1 noname 0.0298 30 H10 11.9732 -0.5442 -0.2985 H 1 noname 0.0298 31 H11 8.6714 -6.5488 4.4951 H 1 noname 0.1014 32 H12 10.8542 1.2048 0.6734 H 1 noname 0.1227 33 H13 9.8672 0.1738 -1.3774 H 1 noname 0.0285 34 H14 8.9723 -1.3380 -1.1434 H 1 noname 0.0285 35 H15 8.4213 0.9108 2.2793 H 1 noname 0.0428 36 H16 9.3663 2.3837 2.0354 H 1 noname 0.0428 37 H17 7.4784 0.6528 -1.3893 H 1 noname 0.0268 38 H18 7.2614 -0.1540 0.1755 H 1 noname 0.0268 39 H19 8.9252 2.3497 -0.3684 H 1 noname 0.0279 40 H20 7.3883 2.2767 0.5175 H 1 noname 0.0279 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 21 1 7 4 7 1 8 4 8 1 9 5 9 1 10 5 10 2 11 6 10 1 12 7 11 1 13 7 22 1 14 7 23 1 15 8 12 1 16 8 24 1 17 8 25 1 18 9 13 1 19 9 26 1 20 10 14 1 21 11 15 1 22 11 27 1 23 11 28 1 24 12 15 1 25 12 29 1 26 12 30 1 27 13 14 2 28 13 31 1 29 15 16 1 30 15 17 1 31 16 18 1 32 16 32 1 33 17 19 1 34 17 33 1 35 17 34 1 36 18 20 1 37 18 35 1 38 18 36 1 39 19 20 1 40 19 37 1 41 19 38 1 42 20 39 1 43 20 40 1 @SUBSTRUCTURE 1 noname 1